data_[La24Pr4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2257]
_cell_length_b [10.3267]
_cell_length_c [14.4658]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [La6PrHg]
_chemical_formula_sum '[La24 Pr4 Hg4]'
_cell_volume [1079.4102]
_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
[
  La  La0  16  0.2500  0.2500  0.1178  1.0
  La  La1  8  0.0000  0.0000  0.2399  1.0
  Pr  Pr2  4  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  4  0.0000  0.0000  0.0000  1.0
]