# generated using pymatgen
data_Ca20Ga9Hg2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95836844
_cell_length_b   7.95836844
_cell_length_c   15.06902271
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20Ga9Hg2Pb
_chemical_formula_sum   'Ca20 Ga9 Hg2 Pb1'
_cell_volume   954.40601912
_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  0.68153274  0.17327542  0.10732364  1.0
  Ca  Ca1  1  0.17668024  0.67448424  0.60941552  1.0
  Ca  Ca2  1  0.31846726  0.82672458  0.10732364  1.0
  Ca  Ca3  1  0.82331976  0.32551576  0.60941552  1.0
  Ca  Ca4  1  0.82672458  0.68153274  0.10732364  1.0
  Ca  Ca5  1  0.32551576  0.17668024  0.60941552  1.0
  Ca  Ca6  1  0.17327542  0.31846726  0.10732364  1.0
  Ca  Ca7  1  0.67448424  0.82331976  0.60941552  1.0
  Ca  Ca8  1  0.82672458  0.31846726  0.89267636  1.0
  Ca  Ca9  1  0.32551576  0.82331976  0.39058448  1.0
  Ca  Ca10  1  0.17327542  0.68153274  0.89267636  1.0
  Ca  Ca11  1  0.67448424  0.17668024  0.39058448  1.0
  Ca  Ca12  1  0.68153274  0.82672458  0.89267636  1.0
  Ca  Ca13  1  0.17668024  0.32551576  0.39058448  1.0
  Ca  Ca14  1  0.31846726  0.17327542  0.89267636  1.0
  Ca  Ca15  1  0.82331976  0.67448424  0.39058448  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75627969  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.24910419  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.75089581  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24372031  1.0
  Ga  Ga20  1  0.60990281  0.11036401  0.75146766  1.0
  Ga  Ga21  1  0.11036401  0.60990281  0.24853234  1.0
  Ga  Ga22  1  0.88963599  0.39009719  0.24853234  1.0
  Ga  Ga23  1  0.39009719  0.88963599  0.75146766  1.0
  Ga  Ga24  1  0.88963599  0.60990281  0.75146766  1.0
  Ga  Ga25  1  0.39009719  0.11036401  0.24853234  1.0
  Ga  Ga26  1  0.11036401  0.39009719  0.75146766  1.0
  Ga  Ga27  1  0.60990281  0.88963599  0.24853234  1.0
  Ga  Ga28  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg29  1  0.50000000  0.50000000  0.50000000  1.0
  Hg  Hg30  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb31  1  0.50000000  0.50000000  0.00000000  1.0