# generated using pymatgen
data_Ca5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45646583
_cell_length_b   9.74661443
_cell_length_c   12.78908941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00002332
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Bi3
_chemical_formula_sum   'Ca20 Bi12'
_cell_volume   1054.10120045
_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
  Ca  Ca0  1  0.30591055  0.95678998  0.92500034  1.0
  Ca  Ca1  1  0.80591055  0.04321002  0.57500066  1.0
  Ca  Ca2  1  0.69409045  0.45678998  0.07499966  1.0
  Ca  Ca3  1  0.19408945  0.54321002  0.42500034  1.0
  Ca  Ca4  1  0.69408945  0.04321002  0.07499966  1.0
  Ca  Ca5  1  0.19408945  0.95678998  0.42500034  1.0
  Ca  Ca6  1  0.30591055  0.54321002  0.92500034  1.0
  Ca  Ca7  1  0.80591055  0.45678998  0.57500066  1.0
  Ca  Ca8  1  0.68029100  0.75000000  0.77124580  1.0
  Ca  Ca9  1  0.18029100  0.25000000  0.72875520  1.0
  Ca  Ca10  1  0.31971000  0.25000000  0.22875420  1.0
  Ca  Ca11  1  0.81970900  0.75000000  0.27124480  1.0
  Ca  Ca12  1  0.15176291  0.75000000  0.70998138  1.0
  Ca  Ca13  1  0.65176391  0.25000000  0.79001862  1.0
  Ca  Ca14  1  0.84823609  0.25000000  0.29001862  1.0
  Ca  Ca15  1  0.34823609  0.75000000  0.20998138  1.0
  Ca  Ca16  1  0.53527692  0.75000000  0.49426034  1.0
  Ca  Ca17  1  0.03527592  0.25000000  0.00573966  1.0
  Ca  Ca18  1  0.46472308  0.25000000  0.50574066  1.0
  Ca  Ca19  1  0.96472308  0.75000000  0.99425934  1.0
  Bi  Bi20  1  0.93489512  0.01310661  0.82907949  1.0
  Bi  Bi21  1  0.43489512  0.98689339  0.67092151  1.0
  Bi  Bi22  1  0.06510488  0.51310661  0.17091951  1.0
  Bi  Bi23  1  0.56510488  0.48689339  0.32907949  1.0
  Bi  Bi24  1  0.06510488  0.98689339  0.17091951  1.0
  Bi  Bi25  1  0.56510488  0.01310661  0.32907949  1.0
  Bi  Bi26  1  0.93489512  0.48689339  0.82907949  1.0
  Bi  Bi27  1  0.43489512  0.51310661  0.67092151  1.0
  Bi  Bi28  1  0.57765925  0.75000000  0.01651836  1.0
  Bi  Bi29  1  0.07765925  0.25000000  0.48348164  1.0
  Bi  Bi30  1  0.42234075  0.25000000  0.98348164  1.0
  Bi  Bi31  1  0.92234175  0.75000000  0.51651836  1.0