data_[Li4Pr4Gd4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Gd  1.2000  1.8000  1.0750
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5642]
_cell_length_b [7.5642]
_cell_length_c [7.5642]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [LiPrGdHg]
_chemical_formula_sum '[Li4 Pr4 Gd4 Hg4]'
_cell_volume [432.8041]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.2500  0.2500  0.7500  1
  Gd  Gd2  4  0.2500  0.2500  0.2500  1
  Hg  Hg3  4  0.0000  0.0000  0.5000  1
]