# generated using pymatgen
data_Ca20Ga11Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93578579
_cell_length_b   7.93578579
_cell_length_c   14.92481327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca20Ga11Hg
_chemical_formula_sum   'Ca20 Ga11 Hg1'
_cell_volume   939.91542876
_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  0.67874664  0.17698948  0.10548338  1.0
  Ca  Ca1  1  0.18126072  0.67293345  0.60794939  1.0
  Ca  Ca2  1  0.32125336  0.82301052  0.10548338  1.0
  Ca  Ca3  1  0.81873928  0.32706655  0.60794939  1.0
  Ca  Ca4  1  0.82301052  0.67874664  0.10548338  1.0
  Ca  Ca5  1  0.32706655  0.18126072  0.60794939  1.0
  Ca  Ca6  1  0.17698948  0.32125336  0.10548338  1.0
  Ca  Ca7  1  0.67293345  0.81873928  0.60794939  1.0
  Ca  Ca8  1  0.82301052  0.32125336  0.89451662  1.0
  Ca  Ca9  1  0.32706655  0.81873928  0.39205061  1.0
  Ca  Ca10  1  0.17698948  0.67874664  0.89451662  1.0
  Ca  Ca11  1  0.67293345  0.18126072  0.39205061  1.0
  Ca  Ca12  1  0.67874664  0.82301052  0.89451662  1.0
  Ca  Ca13  1  0.18126072  0.32706655  0.39205061  1.0
  Ca  Ca14  1  0.32125336  0.17698948  0.89451662  1.0
  Ca  Ca15  1  0.81873928  0.67293345  0.39205061  1.0
  Ca  Ca16  1  0.50000000  0.50000000  0.75579436  1.0
  Ca  Ca17  1  0.00000000  0.00000000  0.24853551  1.0
  Ca  Ca18  1  0.00000000  0.00000000  0.75146449  1.0
  Ca  Ca19  1  0.50000000  0.50000000  0.24420564  1.0
  Ga  Ga20  1  0.50000000  0.50000000  0.50000000  1.0
  Ga  Ga21  1  0.50000000  0.50000000  0.00000000  1.0
  Ga  Ga22  1  0.61016777  0.10926160  0.75106579  1.0
  Ga  Ga23  1  0.10926160  0.61016777  0.24893421  1.0
  Ga  Ga24  1  0.89073840  0.38983223  0.24893421  1.0
  Ga  Ga25  1  0.38983223  0.89073840  0.75106579  1.0
  Ga  Ga26  1  0.89073840  0.61016777  0.75106579  1.0
  Ga  Ga27  1  0.38983223  0.10926160  0.24893421  1.0
  Ga  Ga28  1  0.10926160  0.38983223  0.75106579  1.0
  Ga  Ga29  1  0.61016777  0.89073840  0.24893421  1.0
  Ga  Ga30  1  0.00000000  0.00000000  0.00000000  1.0
  Hg  Hg31  1  0.00000000  0.00000000  0.50000000  1.0