data_[Li12Pr2Hg12]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.5267]
_cell_length_b [9.6217]
_cell_length_c [9.9570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6PrHg6]
_chemical_formula_sum '[Li12 Pr2 Hg12]'
_cell_volume [529.4766]
_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  8  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.2545  0.5000  1.0
  Pr  Pr2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.3398  1.0
  Hg  Hg4  4  0.0000  0.3389  0.0000  1.0
  Hg  Hg5  4  0.0000  0.5000  0.3226  1.0
]