data_[Er8U8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  U  1.3800  1.7500  0.9913
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [5.6721]
_cell_length_b [8.4803]
_cell_length_c [10.1919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [ErUFe]
_chemical_formula_sum '[Er8 U8 Fe8]'
_cell_volume [490.2390]
_cell_formula_units_Z [8]
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  8  0.0000  0.1801  0.5000  1
  U  U1  8  0.0000  0.0000  0.1878  1
  Fe  Fe2  8  0.2500  0.2500  0.2500  1
]