The crystal structure described by MnCuIn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Cu(1), four equivalent Cu(2), one In(3), two equivalent In(1), and two equivalent In(2) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), two equivalent Cu(1), two equivalent Cu(2), one In(1), two equivalent In(3), and four equivalent In(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), three equivalent Mn(1), two equivalent Cu(2), one In(1), one In(3), and two equivalent In(2) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Mn(2), four equivalent Mn(1), two equivalent Cu(1), and four equivalent Cu(2) atoms to form InMn6Cu6 cuboctahedra that share corners with two equivalent In(3)Mn6In4Cu2 cuboctahedra, corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with eight equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(1)Mn6Cu6 cuboctahedra, edges with four equivalent In(3)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra. In the second In site, In(2) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(2)Mn6In4Cu2 cuboctahedra, faces with two equivalent In(1)Mn6Cu6 cuboctahedra, faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(3)Mn6In4Cu2 cuboctahedra. In the third In site, In(3) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), and four equivalent In(2) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with two equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with four equivalent In(1)Mn6Cu6 cuboctahedra, and faces with eight equivalent In(2)Mn6In4Cu2 cuboctahedra. is represented by the CIF card [CIF]
data_MnInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.465
_cell_length_c   7.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.664
_symmetry_Int_Tables_number   1
_cell_volume   207.193
_cell_formula_units_Z   4
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  0.667  0.334  0.576  1.0
  Mn  Mn1  1  0.300  0.650  0.451  1.0
  Mn  Mn2  1  0.300  0.650  0.049  1.0
  Mn  Mn3  1  0.667  0.334  0.924  1.0
  In  In4  1  0.652  0.826  0.750  1.0
  In  In5  1  0.830  0.664  0.250  1.0
  In  In6  1  0.831  0.167  0.250  1.0
  In  In7  1  0.345  0.172  0.250  1.0
  Cu  Cu8  1  0.037  0.019  0.516  1.0
  Cu  Cu9  1  0.037  0.019  0.984  1.0
  Cu  Cu10  1  0.166  0.353  0.750  1.0
  Cu  Cu11  1  0.166  0.813  0.750  1.0
[/CIF]
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The crystal structure described by MnCuIn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 16-coordinate geometry to one Mn(1), three equivalent Mn(2), three equivalent Cu(1), four equivalent Cu(2), one In(3), two equivalent In(1), and two equivalent In(2) atoms. In the second Mn site, Mn(2) is bonded in a 11-coordinate geometry to three equivalent Mn(1), two equivalent Cu(1), two equivalent Cu(2), one In(1), two equivalent In(3), and four equivalent In(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to two equivalent Mn(2), three equivalent Mn(1), two equivalent Cu(2), one In(1), one In(3), and two equivalent In(2) atoms. In the second Cu site, Cu(2) is bonded in a 11-coordinate geometry to two equivalent Mn(2), four equivalent Mn(1), one Cu(2), two equivalent Cu(1), and two equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Mn(2), four equivalent Mn(1), two equivalent Cu(1), and four equivalent Cu(2) atoms to form InMn6Cu6 cuboctahedra that share corners with two equivalent In(3)Mn6In4Cu2 cuboctahedra, corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with eight equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(1)Mn6Cu6 cuboctahedra, edges with four equivalent In(3)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra. In the second In site, In(2) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), two equivalent In(2), and two equivalent In(3) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with four equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(2)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(2)Mn6In4Cu2 cuboctahedra, faces with two equivalent In(1)Mn6Cu6 cuboctahedra, faces with four equivalent In(2)Mn6In4Cu2 cuboctahedra, and faces with four equivalent In(3)Mn6In4Cu2 cuboctahedra. In the third In site, In(3) is bonded to two equivalent Mn(1), four equivalent Mn(2), two equivalent Cu(1), and four equivalent In(2) atoms to form distorted InMn6In4Cu2 cuboctahedra that share corners with two equivalent In(1)Mn6Cu6 cuboctahedra, corners with four equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with two equivalent In(3)Mn6In4Cu2 cuboctahedra, edges with four equivalent In(1)Mn6Cu6 cuboctahedra, and faces with eight equivalent In(2)Mn6In4Cu2 cuboctahedra. is represented by the CIF card [CIF]
data_MnInCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.518
_cell_length_b   5.465
_cell_length_c   7.906
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.664
_symmetry_Int_Tables_number   1
_cell_volume   207.193
_cell_formula_units_Z   4
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  0.667  0.334  0.576  1.0
  Mn  Mn1  1  0.300  0.650  0.451  1.0
  Mn  Mn2  1  0.300  0.650  0.049  1.0
  Mn  Mn3  1  0.667  0.334  0.924  1.0
  In  In4  1  0.652  0.826  0.750  1.0
  In  In5  1  0.830  0.664  0.250  1.0
  In  In6  1  0.831  0.167  0.250  1.0
  In  In7  1  0.345  0.172  0.250  1.0
  Cu  Cu8  1  0.037  0.019  0.516  1.0
  Cu  Cu9  1  0.037  0.019  0.984  1.0
  Cu  Cu10  1  0.166  0.353  0.750  1.0
  Cu  Cu11  1  0.166  0.813  0.750  1.0
[/CIF]
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