data_[Li4Pr6Hg14]
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 [Cmmm]
_cell_length_a [4.9836]
_cell_length_b [27.1668]
_cell_length_c [4.4357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li2Pr3Hg7]
_chemical_formula_sum '[Li4 Pr6 Hg14]'
_cell_volume [600.5439]
_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  4  0.0000  0.1283  0.0000  1.0
  Pr  Pr1  4  0.0000  0.3164  0.5000  1.0
  Pr  Pr2  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0807  0.5000  1.0
  Hg  Hg4  4  0.0000  0.2216  0.0000  1.0
  Hg  Hg5  4  0.0000  0.4088  0.0000  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]