data_[Ce4Er4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [18.0523]
_cell_length_b [4.3471]
_cell_length_c [4.4030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeErBi]
_chemical_formula_sum '[Ce4 Er4 Bi4]'
_cell_volume [345.5238]
_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  0.0030  0.2500  0.2926  1.0
  Er  Er1  4  0.1797  0.7500  0.2730  1.0
  Bi  Bi2  4  0.1441  0.2500  0.7749  1.0
]