data_[Li12Pm8Hg16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.1434]
_cell_length_b [15.9083]
_cell_length_c [8.3138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(PmHg2)2]
_chemical_formula_sum '[Li12 Pm8 Hg16]'
_cell_volume [812.5064]
_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  8  0.2500  0.2166  0.7500  1
  Li  Li1  4  0.0000  0.0000  0.0000  1
  Pm  Pm2  8  0.0000  0.1171  0.4196  1
  Hg  Hg3  8  0.0000  0.1827  0.0387  1
  Hg  Hg4  8  0.2500  0.0459  0.7500  1
]