data_[Er4Pu4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pu  1.2800  1.7500  0.9675
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.7480]
_cell_length_b [7.7480]
_cell_length_c [7.7480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [ErPuBi2]
_chemical_formula_sum '[Er4 Pu4 Bi8]'
_cell_volume [465.1298]
_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
[
  Er  Er0  4  0.0000  0.0000  0.5000  1
  Pu  Pu1  4  0.0000  0.0000  0.0000  1
  Bi  Bi2  8  0.2500  0.2500  0.2500  1
]