# generated using pymatgen
data_Ca20In2Ga9Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.02047851
_cell_length_b   8.02047851
_cell_length_c   14.98674269
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20In2Ga9Bi
_chemical_formula_sum   'Ca20 In2 Ga9 Bi1'
_cell_volume   964.06831534
_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  0.68309227  0.17177002  0.10717140  1.0
  Ca  Ca1  1  0.17796788  0.68066686  0.61397766  1.0
  Ca  Ca2  1  0.31690773  0.82822998  0.10717140  1.0
  Ca  Ca3  1  0.82203212  0.31933314  0.61397766  1.0
  Ca  Ca4  1  0.82822998  0.68309227  0.10717140  1.0
  Ca  Ca5  1  0.31933314  0.17796788  0.61397766  1.0
  Ca  Ca6  1  0.17177002  0.31690773  0.10717140  1.0
  Ca  Ca7  1  0.68066686  0.82203212  0.61397766  1.0
  Ca  Ca8  1  0.82822998  0.31690773  0.89282860  1.0
  Ca  Ca9  1  0.31933314  0.82203212  0.38602234  1.0
  Ca  Ca10  1  0.17177002  0.68309227  0.89282860  1.0
  Ca  Ca11  1  0.68066686  0.17796788  0.38602234  1.0
  Ca  Ca12  1  0.68309227  0.82822998  0.89282860  1.0
  Ca  Ca13  1  0.17796788  0.31933314  0.38602234  1.0
  Ca  Ca14  1  0.31690773  0.17177002  0.89282860  1.0
  Ca  Ca15  1  0.82203212  0.68066686  0.38602234  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75973741  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.24749805  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.75250195  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24026259  1.0
  In  In20  1  0.50000000  0.50000000  0.00000000  1.0
  In  In21  1  0.00000000  0.00000000  0.50000000  1.0
  Ga  Ga22  1  0.60863503  0.11031891  0.75108175  1.0
  Ga  Ga23  1  0.11031891  0.60863503  0.24891825  1.0
  Ga  Ga24  1  0.88968109  0.39136497  0.24891825  1.0
  Ga  Ga25  1  0.39136497  0.88968109  0.75108175  1.0
  Ga  Ga26  1  0.88968109  0.60863503  0.75108175  1.0
  Ga  Ga27  1  0.39136497  0.11031891  0.24891825  1.0
  Ga  Ga28  1  0.11031891  0.39136497  0.75108175  1.0
  Ga  Ga29  1  0.60863503  0.88968109  0.24891825  1.0
  Ga  Ga30  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi31  1  0.50000000  0.50000000  0.50000000  1.0