data_[La2Pr2Th4Bi8]
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
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.5484]
_cell_length_b [6.5484]
_cell_length_c [13.0945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LaPr(ThBi2)2]
_chemical_formula_sum '[La2 Pr2 Th4 Bi8]'
_cell_volume [561.5144]
_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
[
  La  La0  2  0.0000  0.0000  0.5000  1
  Pr  Pr1  2  0.0000  0.5000  0.2500  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.7500  1
  Bi  Bi4  4  0.0000  0.0000  0.2480  1
  Bi  Bi5  4  0.0000  0.5000  0.5015  1
]