data_[Er4U4Fe16]
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 [C2/m]
_cell_length_a [9.0026]
_cell_length_b [6.8154]
_cell_length_c [6.3760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErUFe4]
_chemical_formula_sum '[Er4 U4 Fe16]'
_cell_volume [376.2901]
_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  0.1473  0.0000  0.7462  1
  U  U1  4  0.0877  0.5000  0.8112  1
  Fe  Fe2  8  0.1169  0.3013  0.4240  1
  Fe  Fe3  4  0.0000  0.2402  0.0000  1
  Fe  Fe4  4  0.1902  0.0000  0.2641  1
]