data_[La2Ce1Th1Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0521]
_cell_length_b [4.6497]
_cell_length_c [8.0672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2CeThBi4]
_chemical_formula_sum '[La2 Ce1 Th1 Bi4]'
_cell_volume [284.8738]
_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
[
  La  La0  1  0.0000  0.5000  0.5000  1
  La  La1  1  0.5000  0.0000  0.5000  1
  Ce  Ce2  1  0.0000  0.0000  0.0000  1
  Th  Th3  1  0.5000  0.5000  0.0000  1
  Bi  Bi4  2  0.2485  0.5000  0.2440  1
  Bi  Bi5  2  0.2522  0.0000  0.7559  1
]