data_[Ce4Er12Bi8]
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 [C2/m]
_cell_length_a [18.7058]
_cell_length_b [4.3143]
_cell_length_c [10.0178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5861]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeEr3Bi2]
_chemical_formula_sum '[Ce4 Er12 Bi8]'
_cell_volume [740.9181]
_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  0.1106  0.0000  0.1164  1
  Er  Er1  4  0.0573  0.0000  0.6685  1
  Er  Er2  4  0.1364  0.5000  0.4755  1
  Er  Er3  4  0.1890  0.5000  0.8878  1
  Bi  Bi4  4  0.0120  0.5000  0.8425  1
  Bi  Bi5  4  0.2483  0.0000  0.7091  1
]