data_[Er12U4Fe12]
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 [7.4571]
_cell_length_b [11.9808]
_cell_length_c [6.9726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3UFe3]
_chemical_formula_sum '[Er12 U4 Fe12]'
_cell_volume [588.2599]
_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  0.2104  0.5000  1
  Er  Er1  4  0.0000  0.2587  0.0000  1
  Er  Er2  4  0.1578  0.5000  0.3888  1
  U  U3  4  0.2177  0.0000  0.9968  1
  Fe  Fe4  8  0.2014  0.3857  0.7458  1
  Fe  Fe5  4  0.0038  0.0000  0.2810  1
]