data_[Er6V6Fe45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.3522]
_cell_length_b [8.3522]
_cell_length_c [12.5257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er2V2Fe15]
_chemical_formula_sum '[Er6 V6 Fe45]'
_cell_volume [756.7164]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3452  1.0
  V  V1  6  0.0000  0.0000  0.0959  1.0
  Fe  Fe2  18  0.0000  0.3044  0.0000  1.0
  Fe  Fe3  18  0.0007  0.5003  0.8412  1.0
  Fe  Fe4  9  0.0000  0.5000  0.5000  1.0
]