data_[Li3Pr2Hg4]
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 [P-1]
_cell_length_a [5.1389]
_cell_length_b [5.1494]
_cell_length_c [9.2680]
_cell_angle_alpha [80.2019]
_cell_angle_beta [86.3090]
_cell_angle_gamma [61.3477]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li3(PrHg2)2]
_chemical_formula_sum '[Li3 Pr2 Hg4]'
_cell_volume [212.0401]
_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
[
  Li  Li0  2  0.3181  0.2516  0.4158  1
  Li  Li1  1  0.0000  0.0000  0.0000  1
  Pr  Pr2  2  0.3322  0.4045  0.7627  1
  Hg  Hg3  2  0.0119  0.8878  0.3613  1
  Hg  Hg4  2  0.3252  0.2953  0.1066  1
]