# generated using pymatgen
data_Ca20(Si3Bi)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77686726
_cell_length_b   7.77686726
_cell_length_c   14.91552253
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20(Si3Bi)3
_chemical_formula_sum   'Ca20 Si9 Bi3'
_cell_volume   902.08579746
_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  0.68311581  0.16487301  0.10888478  1.0
  Ca  Ca1  1  0.17393588  0.67169883  0.61522166  1.0
  Ca  Ca2  1  0.31688419  0.83512699  0.10888478  1.0
  Ca  Ca3  1  0.82606412  0.32830117  0.61522166  1.0
  Ca  Ca4  1  0.83512699  0.68311581  0.10888478  1.0
  Ca  Ca5  1  0.32830117  0.17393588  0.61522166  1.0
  Ca  Ca6  1  0.16487301  0.31688419  0.10888478  1.0
  Ca  Ca7  1  0.67169883  0.82606412  0.61522166  1.0
  Ca  Ca8  1  0.83512699  0.31688419  0.89111522  1.0
  Ca  Ca9  1  0.32830117  0.82606412  0.38477834  1.0
  Ca  Ca10  1  0.16487301  0.68311581  0.89111522  1.0
  Ca  Ca11  1  0.67169883  0.17393588  0.38477834  1.0
  Ca  Ca12  1  0.68311581  0.83512699  0.89111522  1.0
  Ca  Ca13  1  0.17393588  0.32830117  0.38477834  1.0
  Ca  Ca14  1  0.31688419  0.16487301  0.89111522  1.0
  Ca  Ca15  1  0.82606412  0.67169883  0.38477834  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75909658  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.24712310  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.75287690  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24090342  1.0
  Si  Si20  1  0.61250648  0.11404898  0.75176659  1.0
  Si  Si21  1  0.11404898  0.61250648  0.24823341  1.0
  Si  Si22  1  0.88595102  0.38749352  0.24823341  1.0
  Si  Si23  1  0.38749352  0.88595102  0.75176659  1.0
  Si  Si24  1  0.88595102  0.61250648  0.75176659  1.0
  Si  Si25  1  0.38749352  0.11404898  0.24823341  1.0
  Si  Si26  1  0.11404898  0.38749352  0.75176659  1.0
  Si  Si27  1  0.61250648  0.88595102  0.24823341  1.0
  Si  Si28  1  0.00000000  0.00000000  0.00000000  1.0
  Bi  Bi29  1  0.50000000  0.50000000  0.50000000  1.0
  Bi  Bi30  1  0.50000000  0.50000000  0.00000000  1.0
  Bi  Bi31  1  0.00000000  0.00000000  0.50000000  1.0