data_[La12Pr12Hg8]
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 [Cmcm]
_cell_length_a [5.1775]
_cell_length_b [12.2841]
_cell_length_c [17.0258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Pr3Hg2]
_chemical_formula_sum '[La12 Pr12 Hg8]'
_cell_volume [1082.8565]
_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  8  0.0000  0.0379  0.6111  1.0
  La  La1  4  0.0000  0.3030  0.7500  1.0
  Pr  Pr2  8  0.0000  0.3589  0.5274  1.0
  Pr  Pr3  4  0.0000  0.4297  0.2500  1.0
  Hg  Hg4  8  0.0000  0.2296  0.1301  1.0
]