The structure described by Ca2Zn3Sn6 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 14-coordinate geometry to two equivalent Zn(2), four equivalent Zn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to two equivalent Zn(2), four equivalent Zn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Zn(2), and three equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Zn(2), and four equivalent Zn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ca2(ZnSn2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.023
_cell_length_b   14.023
_cell_length_c   6.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.640
_symmetry_Int_Tables_number   1
_cell_volume   558.212
_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
  Ca  Ca0  1  0.401  0.599  0.750  1.0
  Ca  Ca1  1  0.599  0.401  0.250  1.0
  Ca  Ca2  1  0.097  0.903  0.750  1.0
  Ca  Ca3  1  0.903  0.097  0.250  1.0
  Zn  Zn4  1  0.719  0.719  0.000  1.0
  Zn  Zn5  1  0.719  0.719  0.500  1.0
  Zn  Zn6  1  0.281  0.281  0.000  1.0
  Zn  Zn7  1  0.281  0.281  0.500  1.0
  Zn  Zn8  1  0.851  0.149  0.750  1.0
  Zn  Zn9  1  0.149  0.851  0.250  1.0
  Sn  Sn10  1  0.465  0.072  0.981  1.0
  Sn  Sn11  1  0.072  0.465  0.019  1.0
  Sn  Sn12  1  0.465  0.072  0.519  1.0
  Sn  Sn13  1  0.072  0.465  0.481  1.0
  Sn  Sn14  1  0.535  0.928  0.019  1.0
  Sn  Sn15  1  0.928  0.535  0.981  1.0
  Sn  Sn16  1  0.535  0.928  0.481  1.0
  Sn  Sn17  1  0.928  0.535  0.519  1.0
  Sn  Sn18  1  0.948  0.052  0.750  1.0
  Sn  Sn19  1  0.052  0.948  0.250  1.0
  Sn  Sn20  1  0.569  0.431  0.750  1.0
  Sn  Sn21  1  0.431  0.569  0.250  1.0
[/CIF]
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The structure described by Ca2Zn3Sn6 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 14-coordinate geometry to two equivalent Zn(2), four equivalent Zn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. In the second Ca site, Ca(2) is bonded in a 14-coordinate geometry to two equivalent Zn(2), four equivalent Zn(1), two equivalent Sn(2), two equivalent Sn(3), and four equivalent Sn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Zn site, Zn(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Sn(2), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one Ca(1), one Ca(2), one Zn(2), and three equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 9-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Zn(2), and four equivalent Zn(1) atoms. In the third Sn site, Sn(3) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), and four equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_Ca2(ZnSn2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.023
_cell_length_b   14.023
_cell_length_c   6.393
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   153.640
_symmetry_Int_Tables_number   1
_cell_volume   558.212
_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
  Ca  Ca0  1  0.401  0.599  0.750  1.0
  Ca  Ca1  1  0.599  0.401  0.250  1.0
  Ca  Ca2  1  0.097  0.903  0.750  1.0
  Ca  Ca3  1  0.903  0.097  0.250  1.0
  Zn  Zn4  1  0.719  0.719  0.000  1.0
  Zn  Zn5  1  0.719  0.719  0.500  1.0
  Zn  Zn6  1  0.281  0.281  0.000  1.0
  Zn  Zn7  1  0.281  0.281  0.500  1.0
  Zn  Zn8  1  0.851  0.149  0.750  1.0
  Zn  Zn9  1  0.149  0.851  0.250  1.0
  Sn  Sn10  1  0.465  0.072  0.981  1.0
  Sn  Sn11  1  0.072  0.465  0.019  1.0
  Sn  Sn12  1  0.465  0.072  0.519  1.0
  Sn  Sn13  1  0.072  0.465  0.481  1.0
  Sn  Sn14  1  0.535  0.928  0.019  1.0
  Sn  Sn15  1  0.928  0.535  0.981  1.0
  Sn  Sn16  1  0.535  0.928  0.481  1.0
  Sn  Sn17  1  0.928  0.535  0.519  1.0
  Sn  Sn18  1  0.948  0.052  0.750  1.0
  Sn  Sn19  1  0.052  0.948  0.250  1.0
  Sn  Sn20  1  0.569  0.431  0.750  1.0
  Sn  Sn21  1  0.431  0.569  0.250  1.0
[/CIF]
.