# generated using pymatgen
data_LiCa4In2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60837482
_cell_length_b   5.44277910
_cell_length_c   10.93602774
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00055368
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa4In2Hg
_chemical_formula_sum   'Li2 Ca8 In4 Hg2'
_cell_volume   452.86860188
_cell_formula_units_Z   2
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
  Li  Li0  1  0.24998664  0.25000100  0.62008170  1.0
  Li  Li1  1  0.74996693  0.75000100  0.87988481  1.0
  Ca  Ca2  1  0.00683058  0.75000100  0.12912795  1.0
  Ca  Ca3  1  0.49318072  0.75000100  0.12915379  1.0
  Ca  Ca4  1  0.99318418  0.25000100  0.37085032  1.0
  Ca  Ca5  1  0.50683063  0.25000100  0.37086478  1.0
  Ca  Ca6  1  0.50721771  0.75000100  0.62085330  1.0
  Ca  Ca7  1  0.99279069  0.75000100  0.62087868  1.0
  Ca  Ca8  1  0.49279039  0.25000100  0.87912806  1.0
  Ca  Ca9  1  0.00720964  0.25000100  0.87914233  1.0
  In  In10  1  0.74997611  0.25000100  0.11483683  1.0
  In  In11  1  0.24997088  0.75000100  0.38518254  1.0
  In  In12  1  0.75000538  0.25000100  0.63641789  1.0
  In  In13  1  0.25000563  0.75000100  0.86357628  1.0
  Hg  Hg14  1  0.25001145  0.25000100  0.12979936  1.0
  Hg  Hg15  1  0.75003843  0.75000100  0.37022238  1.0