data_[Ce8Pr2Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.9753]
_cell_length_b [5.3807]
_cell_length_c [20.0085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ce4PrHg3]
_chemical_formula_sum '[Ce8 Pr2 Hg6]'
_cell_volume [427.9807]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.1406  1.0
  Ce  Ce1  4  0.0000  0.5000  0.2630  1.0
  Pr  Pr2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.3684  1.0
  Hg  Hg4  2  0.0000  0.5000  0.5000  1.0
]