The crystal structure described by MnZn4O5 is Chalcopyrite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), and two equivalent O(8) atoms to form MnO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Zn(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(6), one O(7), and two equivalent O(3) atoms to form MnO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Zn(5)O4 tetrahedra. There are eight inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, and corners with three equivalent Zn(4)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(3), one O(5), and two equivalent O(9) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, and corners with three equivalent Zn(8)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(4), one O(8), and two equivalent O(10) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, and corners with three equivalent Zn(7)O4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one O(1), one O(4), and two equivalent O(7) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, and corners with three equivalent Zn(1)O4 tetrahedra. In the fifth Zn site, Zn(5) is bonded to one O(7), one O(9), and two equivalent O(6) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(8)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, and corners with three equivalent Mn(2)O4 tetrahedra. In the sixth Zn site, Zn(6) is bonded to one O(10), one O(2), and two equivalent O(5) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Mn(1)O4 tetrahedra. In the seventh Zn site, Zn(7) is bonded to one O(10), one O(8), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, and corners with three equivalent Zn(3)O4 tetrahedra. In the eighth Zn site, Zn(8) is bonded to one O(3), one O(9), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Zn(2)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), one Zn(4), and two equivalent Zn(7) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(6)MnZn3 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, and corners with three equivalent O(4)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(1), one Zn(6), and two equivalent Zn(8) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(10)Zn4 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(5)MnZn3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mn(2), one Zn(2), and one Zn(8) atom to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(5)MnZn3 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, and corners with three equivalent O(9)Zn4 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(3), one Zn(4), and two equivalent Zn(1) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, and corners with three equivalent O(1)Zn4 tetrahedra. In the fifth O site, O(5) is bonded to one Mn(1), one Zn(2), and two equivalent Zn(6) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(2)MnZn3 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(2), one Zn(1), and two equivalent Zn(5) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(1)Zn4 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(7)MnZn3 tetrahedra. In the seventh O site, O(7) is bonded to one Mn(2), one Zn(5), and two equivalent Zn(4) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(9)Zn4 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, and corners with three equivalent O(6)MnZn3 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Mn(1), one Zn(3), and one Zn(7) atom to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(4)Zn4 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, and corners with three equivalent O(10)Zn4 tetrahedra. In the ninth O site, O(9) is bonded to one Zn(5), one Zn(8), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(7)MnZn3 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(3)Mn2Zn2 tetrahedra. In the tenth O site, O(10) is bonded to one Zn(6), one Zn(7), and two equivalent Zn(3) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(2)MnZn3 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, and corners with three equivalent O(8)Mn2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZn4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.310
_cell_length_b   6.289
_cell_length_c   12.680
_cell_angle_alpha   93.180
_cell_angle_beta   90.016
_cell_angle_gamma   105.249
_symmetry_Int_Tables_number   1
_cell_volume   254.237
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.872  0.732  0.769  1.0
  Mn  Mn1  1  0.056  0.131  0.366  1.0
  O  O2  1  0.778  0.558  0.057  1.0
  O  O3  1  0.975  0.964  0.655  1.0
  O  O4  1  0.573  0.164  0.462  1.0
  O  O5  1  0.511  0.027  0.091  1.0
  O  O6  1  0.713  0.421  0.690  1.0
  O  O7  1  0.911  0.819  0.287  1.0
  O  O8  1  0.185  0.366  0.253  1.0
  O  O9  1  0.388  0.764  0.865  1.0
  O  O10  1  0.307  0.628  0.490  1.0
  O  O11  1  0.116  0.228  0.890  1.0
  Zn  Zn12  1  0.928  0.861  0.131  1.0
  Zn  Zn13  1  0.726  0.465  0.534  1.0
  Zn  Zn14  1  0.537  0.068  0.935  1.0
  Zn  Zn15  1  0.667  0.331  0.165  1.0
  Zn  Zn16  1  0.334  0.663  0.332  1.0
  Zn  Zn17  1  0.134  0.262  0.732  1.0
  Zn  Zn18  1  0.263  0.529  0.968  1.0
  Zn  Zn19  1  0.458  0.931  0.566  1.0
[/CIF]
.
The crystal structure described by MnZn4O5 is Chalcopyrite-like structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), and two equivalent O(8) atoms to form MnO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Zn(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(6), one O(7), and two equivalent O(3) atoms to form MnO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Zn(5)O4 tetrahedra. There are eight inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, and corners with three equivalent Zn(4)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(3), one O(5), and two equivalent O(9) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, and corners with three equivalent Zn(8)O4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(4), one O(8), and two equivalent O(10) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, and corners with three equivalent Zn(7)O4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one O(1), one O(4), and two equivalent O(7) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, and corners with three equivalent Zn(1)O4 tetrahedra. In the fifth Zn site, Zn(5) is bonded to one O(7), one O(9), and two equivalent O(6) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(8)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, and corners with three equivalent Mn(2)O4 tetrahedra. In the sixth Zn site, Zn(6) is bonded to one O(10), one O(2), and two equivalent O(5) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Mn(1)O4 tetrahedra. In the seventh Zn site, Zn(7) is bonded to one O(10), one O(8), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, and corners with three equivalent Zn(3)O4 tetrahedra. In the eighth Zn site, Zn(8) is bonded to one O(3), one O(9), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, and corners with three equivalent Zn(2)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), one Zn(4), and two equivalent Zn(7) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(6)MnZn3 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, and corners with three equivalent O(4)Zn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(1), one Zn(6), and two equivalent Zn(8) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(10)Zn4 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(5)MnZn3 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mn(2), one Zn(2), and one Zn(8) atom to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(5)MnZn3 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, and corners with three equivalent O(9)Zn4 tetrahedra. In the fourth O site, O(4) is bonded to one Zn(3), one Zn(4), and two equivalent Zn(1) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, and corners with three equivalent O(1)Zn4 tetrahedra. In the fifth O site, O(5) is bonded to one Mn(1), one Zn(2), and two equivalent Zn(6) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(2)MnZn3 tetrahedra. In the sixth O site, O(6) is bonded to one Mn(2), one Zn(1), and two equivalent Zn(5) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(1)Zn4 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(7)MnZn3 tetrahedra. In the seventh O site, O(7) is bonded to one Mn(2), one Zn(5), and two equivalent Zn(4) atoms to form OMnZn3 tetrahedra that share  a cornercorner with one O(9)Zn4 tetrahedra, corners with two equivalent O(3)Mn2Zn2 tetrahedra, corners with two equivalent O(7)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, and corners with three equivalent O(6)MnZn3 tetrahedra. In the eighth O site, O(8) is bonded to two equivalent Mn(1), one Zn(3), and one Zn(7) atom to form OMn2Zn2 tetrahedra that share  a cornercorner with one O(4)Zn4 tetrahedra, corners with two equivalent O(8)Mn2Zn2 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, and corners with three equivalent O(10)Zn4 tetrahedra. In the ninth O site, O(9) is bonded to one Zn(5), one Zn(8), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(7)MnZn3 tetrahedra, corners with two equivalent O(2)MnZn3 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(6)MnZn3 tetrahedra, corners with two equivalent O(9)Zn4 tetrahedra, and corners with three equivalent O(3)Mn2Zn2 tetrahedra. In the tenth O site, O(10) is bonded to one Zn(6), one Zn(7), and two equivalent Zn(3) atoms to form OZn4 tetrahedra that share  a cornercorner with one O(2)MnZn3 tetrahedra, corners with two equivalent O(5)MnZn3 tetrahedra, corners with two equivalent O(1)Zn4 tetrahedra, corners with two equivalent O(10)Zn4 tetrahedra, corners with two equivalent O(4)Zn4 tetrahedra, and corners with three equivalent O(8)Mn2Zn2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnZn4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.310
_cell_length_b   6.289
_cell_length_c   12.680
_cell_angle_alpha   93.180
_cell_angle_beta   90.016
_cell_angle_gamma   105.249
_symmetry_Int_Tables_number   1
_cell_volume   254.237
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mn  Mn0  1  0.872  0.732  0.769  1.0
  Mn  Mn1  1  0.056  0.131  0.366  1.0
  O  O2  1  0.778  0.558  0.057  1.0
  O  O3  1  0.975  0.964  0.655  1.0
  O  O4  1  0.573  0.164  0.462  1.0
  O  O5  1  0.511  0.027  0.091  1.0
  O  O6  1  0.713  0.421  0.690  1.0
  O  O7  1  0.911  0.819  0.287  1.0
  O  O8  1  0.185  0.366  0.253  1.0
  O  O9  1  0.388  0.764  0.865  1.0
  O  O10  1  0.307  0.628  0.490  1.0
  O  O11  1  0.116  0.228  0.890  1.0
  Zn  Zn12  1  0.928  0.861  0.131  1.0
  Zn  Zn13  1  0.726  0.465  0.534  1.0
  Zn  Zn14  1  0.537  0.068  0.935  1.0
  Zn  Zn15  1  0.667  0.331  0.165  1.0
  Zn  Zn16  1  0.334  0.663  0.332  1.0
  Zn  Zn17  1  0.134  0.262  0.732  1.0
  Zn  Zn18  1  0.263  0.529  0.968  1.0
  Zn  Zn19  1  0.458  0.931  0.566  1.0
[/CIF]
.