data_[Li2Pr8Hg14]
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 [C2/m]
_cell_length_a [15.6454]
_cell_length_b [5.3377]
_cell_length_c [9.5789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPr4Hg7]
_chemical_formula_sum '[Li2 Pr8 Hg14]'
_cell_volume [664.5973]
_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  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0702  0.5000  0.7500  1.0
  Pr  Pr2  4  0.2384  0.5000  0.2612  1.0
  Hg  Hg3  4  0.0663  0.0000  0.3458  1.0
  Hg  Hg4  4  0.1788  0.5000  0.5359  1.0
  Hg  Hg5  4  0.1819  0.0000  0.0015  1.0
  Hg  Hg6  2  0.0000  0.5000  0.0000  1.0
]