The structure described by Ca3(Cu2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 14-coordinate geometry to two equivalent Cu(1), two equivalent Cu(4), four equivalent Cu(3), two equivalent Sn(1), and four equivalent Sn(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Ca(1), two equivalent Cu(1), two equivalent Cu(2), three equivalent Cu(3), and three equivalent Sn(2) atoms to form distorted CuCa2Cu7Sn3 cuboctahedra that share corners with four equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, corners with five equivalent Sn(2)Ca4Cu8 cuboctahedra, faces with two equivalent Cu(2)Cu9Sn3 cuboctahedra, faces with six equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, and faces with six equivalent Sn(2)Ca4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(3), six equivalent Cu(1), and three equivalent Sn(2) atoms to form CuCu9Sn3 cuboctahedra that share corners with three equivalent Sn(2)Ca4Cu8 cuboctahedra, faces with two equivalent Cu(2)Cu9Sn3 cuboctahedra, faces with six equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, and faces with six equivalent Sn(2)Ca4Cu8 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to four equivalent Ca(1), one Cu(2), three equivalent Cu(1), one Sn(1), and three equivalent Sn(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one Cu(4), and three equivalent Cu(3) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Ca(1), one Cu(2), one Cu(4), three equivalent Cu(1), and three equivalent Cu(3) atoms to form SnCa4Cu8 cuboctahedra that share  a cornercorner with one Cu(2)Cu9Sn3 cuboctahedra, corners with four equivalent Sn(2)Ca4Cu8 cuboctahedra, corners with five equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, faces with two equivalent Cu(2)Cu9Sn3 cuboctahedra, faces with six equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, and faces with eight equivalent Sn(2)Ca4Cu8 cuboctahedra. is represented by the CIF file [CIF]
data_Ca3(Cu2Sn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   9.083
_cell_length_c   7.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   551.280
_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  0.476  0.524  0.497  1.0
  Ca  Ca1  1  0.952  0.476  0.997  1.0
  Ca  Ca2  1  0.524  0.048  0.997  1.0
  Ca  Ca3  1  0.048  0.524  0.497  1.0
  Ca  Ca4  1  0.476  0.952  0.497  1.0
  Ca  Ca5  1  0.524  0.476  0.997  1.0
  Cu  Cu6  1  0.799  0.900  0.472  1.0
  Cu  Cu7  1  1.000  0.000  0.720  1.0
  Cu  Cu8  1  0.675  0.838  0.163  1.0
  Cu  Cu9  1  0.900  0.799  0.972  1.0
  Cu  Cu10  1  0.838  0.162  0.663  1.0
  Cu  Cu11  1  0.162  0.838  0.163  1.0
  Cu  Cu12  1  0.201  0.100  0.972  1.0
  Cu  Cu13  1  0.162  0.325  0.163  1.0
  Cu  Cu14  1  0.000  1.000  0.220  1.0
  Cu  Cu15  1  0.333  0.667  0.836  1.0
  Cu  Cu16  1  0.838  0.675  0.663  1.0
  Cu  Cu17  1  0.900  0.100  0.972  1.0
  Cu  Cu18  1  0.100  0.201  0.472  1.0
  Cu  Cu19  1  0.100  0.900  0.472  1.0
  Cu  Cu20  1  0.325  0.162  0.663  1.0
  Cu  Cu21  1  0.667  0.333  0.336  1.0
  Sn  Sn22  1  0.333  0.667  0.192  1.0
  Sn  Sn23  1  0.168  0.337  0.788  1.0
  Sn  Sn24  1  0.663  0.832  0.788  1.0
  Sn  Sn25  1  0.337  0.168  0.288  1.0
  Sn  Sn26  1  0.832  0.663  0.288  1.0
  Sn  Sn27  1  0.667  0.333  0.692  1.0
  Sn  Sn28  1  0.168  0.832  0.788  1.0
  Sn  Sn29  1  0.832  0.168  0.288  1.0
[/CIF]
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The structure described by Ca3(Cu2Sn)4 is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 14-coordinate geometry to two equivalent Cu(1), two equivalent Cu(4), four equivalent Cu(3), two equivalent Sn(1), and four equivalent Sn(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent Ca(1), two equivalent Cu(1), two equivalent Cu(2), three equivalent Cu(3), and three equivalent Sn(2) atoms to form distorted CuCa2Cu7Sn3 cuboctahedra that share corners with four equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, corners with five equivalent Sn(2)Ca4Cu8 cuboctahedra, faces with two equivalent Cu(2)Cu9Sn3 cuboctahedra, faces with six equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, and faces with six equivalent Sn(2)Ca4Cu8 cuboctahedra. In the second Cu site, Cu(2) is bonded to three equivalent Cu(3), six equivalent Cu(1), and three equivalent Sn(2) atoms to form CuCu9Sn3 cuboctahedra that share corners with three equivalent Sn(2)Ca4Cu8 cuboctahedra, faces with two equivalent Cu(2)Cu9Sn3 cuboctahedra, faces with six equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, and faces with six equivalent Sn(2)Ca4Cu8 cuboctahedra. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to four equivalent Ca(1), one Cu(2), three equivalent Cu(1), one Sn(1), and three equivalent Sn(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to six equivalent Ca(1), one Cu(4), and three equivalent Cu(3) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Ca(1), one Cu(2), one Cu(4), three equivalent Cu(1), and three equivalent Cu(3) atoms to form SnCa4Cu8 cuboctahedra that share  a cornercorner with one Cu(2)Cu9Sn3 cuboctahedra, corners with four equivalent Sn(2)Ca4Cu8 cuboctahedra, corners with five equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, faces with two equivalent Cu(2)Cu9Sn3 cuboctahedra, faces with six equivalent Cu(1)Ca2Cu7Sn3 cuboctahedra, and faces with eight equivalent Sn(2)Ca4Cu8 cuboctahedra. is represented by the CIF file [CIF]
data_Ca3(Cu2Sn)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   9.083
_cell_length_c   7.715
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.997
_symmetry_Int_Tables_number   1
_cell_volume   551.280
_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  0.476  0.524  0.497  1.0
  Ca  Ca1  1  0.952  0.476  0.997  1.0
  Ca  Ca2  1  0.524  0.048  0.997  1.0
  Ca  Ca3  1  0.048  0.524  0.497  1.0
  Ca  Ca4  1  0.476  0.952  0.497  1.0
  Ca  Ca5  1  0.524  0.476  0.997  1.0
  Cu  Cu6  1  0.799  0.900  0.472  1.0
  Cu  Cu7  1  1.000  0.000  0.720  1.0
  Cu  Cu8  1  0.675  0.838  0.163  1.0
  Cu  Cu9  1  0.900  0.799  0.972  1.0
  Cu  Cu10  1  0.838  0.162  0.663  1.0
  Cu  Cu11  1  0.162  0.838  0.163  1.0
  Cu  Cu12  1  0.201  0.100  0.972  1.0
  Cu  Cu13  1  0.162  0.325  0.163  1.0
  Cu  Cu14  1  0.000  1.000  0.220  1.0
  Cu  Cu15  1  0.333  0.667  0.836  1.0
  Cu  Cu16  1  0.838  0.675  0.663  1.0
  Cu  Cu17  1  0.900  0.100  0.972  1.0
  Cu  Cu18  1  0.100  0.201  0.472  1.0
  Cu  Cu19  1  0.100  0.900  0.472  1.0
  Cu  Cu20  1  0.325  0.162  0.663  1.0
  Cu  Cu21  1  0.667  0.333  0.336  1.0
  Sn  Sn22  1  0.333  0.667  0.192  1.0
  Sn  Sn23  1  0.168  0.337  0.788  1.0
  Sn  Sn24  1  0.663  0.832  0.788  1.0
  Sn  Sn25  1  0.337  0.168  0.288  1.0
  Sn  Sn26  1  0.832  0.663  0.288  1.0
  Sn  Sn27  1  0.667  0.333  0.692  1.0
  Sn  Sn28  1  0.168  0.832  0.788  1.0
  Sn  Sn29  1  0.832  0.168  0.288  1.0
[/CIF]
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