data_[Ce4Sm4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [9.0803]
_cell_length_b [7.8756]
_cell_length_c [7.6534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CeSmBi2]
_chemical_formula_sum '[Ce4 Sm4 Bi8]'
_cell_volume [547.3184]
_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
[
  Ce  Ce0  4  0.3749  0.0842  0.2500  1
  Sm  Sm1  4  0.1251  0.5821  0.2500  1
  Bi  Bi2  4  0.1237  0.2500  0.0000  1
  Bi  Bi3  4  0.3735  0.7500  0.0000  1
]