data_[La4Tb8Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [7.8425]
_cell_length_b [7.8425]
_cell_length_c [7.8425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [La4Tb8Th]
_chemical_formula_sum '[La4 Tb8 Th1]'
_cell_volume [482.3493]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  8  0.2408  0.7592  0.2408  1
  La  La1  3  0.0000  0.5000  0.5000  1
  La  La2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.5000  0.5000  0.5000  1
]