data_[Er16Fe2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1363]
_cell_length_b [4.7916]
_cell_length_c [6.7578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7600]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8FeRu2]
_chemical_formula_sum '[Er16 Fe2 Ru4]'
_cell_volume [528.4389]
_cell_formula_units_Z [2]
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  0.0293  0.0000  0.7961  1.0
  Er  Er1  4  0.0954  0.5000  0.4494  1.0
  Er  Er2  4  0.1649  0.5000  0.9626  1.0
  Er  Er3  4  0.2037  0.0000  0.3117  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru5  4  0.1838  0.0000  0.6978  1.0
]