# generated using pymatgen
data_Ca20Ga8Hg3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98110510
_cell_length_b   7.98110510
_cell_length_c   15.01575863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20Ga8Hg3Bi
_chemical_formula_sum   'Ca20 Ga8 Hg3 Bi1'
_cell_volume   956.47437319
_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  0.67231316  0.17800880  0.10908639  1.0
  Ca  Ca1  1  0.17386086  0.67448797  0.60820633  1.0
  Ca  Ca2  1  0.32768684  0.82199120  0.10908639  1.0
  Ca  Ca3  1  0.82613914  0.32551203  0.60820633  1.0
  Ca  Ca4  1  0.82199120  0.67231316  0.10908639  1.0
  Ca  Ca5  1  0.32551203  0.17386086  0.60820633  1.0
  Ca  Ca6  1  0.17800880  0.32768684  0.10908639  1.0
  Ca  Ca7  1  0.67448797  0.82613914  0.60820633  1.0
  Ca  Ca8  1  0.82199120  0.32768684  0.89091361  1.0
  Ca  Ca9  1  0.32551203  0.82613914  0.39179367  1.0
  Ca  Ca10  1  0.17800880  0.67231316  0.89091361  1.0
  Ca  Ca11  1  0.67448797  0.17386086  0.39179367  1.0
  Ca  Ca12  1  0.67231316  0.82199120  0.89091361  1.0
  Ca  Ca13  1  0.17386086  0.32551203  0.39179367  1.0
  Ca  Ca14  1  0.32768684  0.17800880  0.89091361  1.0
  Ca  Ca15  1  0.82613914  0.67448797  0.39179367  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.74701823  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.25006186  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.74993814  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.25298177  1.0
  Ga  Ga20  1  0.61184481  0.11117878  0.75108328  1.0
  Ga  Ga21  1  0.11117878  0.61184481  0.24891672  1.0
  Ga  Ga22  1  0.88882122  0.38815519  0.24891672  1.0
  Ga  Ga23  1  0.38815519  0.88882122  0.75108328  1.0
  Ga  Ga24  1  0.88882122  0.61184481  0.75108328  1.0
  Ga  Ga25  1  0.38815519  0.11117878  0.24891672  1.0
  Ga  Ga26  1  0.11117878  0.38815519  0.75108328  1.0
  Ga  Ga27  1  0.61184481  0.88882122  0.24891672  1.0
  Hg  Hg28  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg29  1  0.50000000  0.50000000  0.00000000  1.0
  Hg  Hg30  1  0.00000000  0.00000000  0.50000000  1.0
  Bi  Bi31  1  0.00000000  0.00000000  0.00000000  1.0