# generated using pymatgen
data_Ca20(Zn3Sn)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89800654
_cell_length_b   7.89800654
_cell_length_c   15.34241885
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20(Zn3Sn)3
_chemical_formula_sum   'Ca20 Zn9 Sn3'
_cell_volume   957.03718687
_cell_formula_units_Z   1
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  0.67711453  0.17244291  0.10367230  1.0
  Ca  Ca1  1  0.17540911  0.67451448  0.60502971  1.0
  Ca  Ca2  1  0.32288547  0.82755709  0.10367230  1.0
  Ca  Ca3  1  0.82459089  0.32548552  0.60502971  1.0
  Ca  Ca4  1  0.82755709  0.67711453  0.10367230  1.0
  Ca  Ca5  1  0.32548552  0.17540911  0.60502971  1.0
  Ca  Ca6  1  0.17244291  0.32288547  0.10367230  1.0
  Ca  Ca7  1  0.67451448  0.82459089  0.60502971  1.0
  Ca  Ca8  1  0.82755709  0.32288547  0.89632770  1.0
  Ca  Ca9  1  0.32548552  0.82459089  0.39497029  1.0
  Ca  Ca10  1  0.17244291  0.67711453  0.89632770  1.0
  Ca  Ca11  1  0.67451448  0.17540911  0.39497029  1.0
  Ca  Ca12  1  0.67711453  0.82755709  0.89632770  1.0
  Ca  Ca13  1  0.17540911  0.32548552  0.39497029  1.0
  Ca  Ca14  1  0.32288547  0.17244291  0.89632770  1.0
  Ca  Ca15  1  0.82459089  0.67451448  0.39497029  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75475769  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.25333641  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.74666359  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24524231  1.0
  Zn  Zn20  1  0.61086027  0.11086224  0.75043511  1.0
  Zn  Zn21  1  0.11086224  0.61086027  0.24956489  1.0
  Zn  Zn22  1  0.88913776  0.38913973  0.24956489  1.0
  Zn  Zn23  1  0.38913973  0.88913776  0.75043511  1.0
  Zn  Zn24  1  0.88913776  0.61086027  0.75043511  1.0
  Zn  Zn25  1  0.38913973  0.11086224  0.24956489  1.0
  Zn  Zn26  1  0.11086224  0.38913973  0.75043511  1.0
  Zn  Zn27  1  0.61086027  0.88913776  0.24956489  1.0
  Zn  Zn28  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn29  1  0.50000000  0.50000000  0.50000000  1.0
  Sn  Sn30  1  0.50000000  0.50000000  0.00000000  1.0
  Sn  Sn31  1  0.00000000  0.00000000  0.50000000  1.0