data_[Er12Ir4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5828]
_cell_length_b [7.2268]
_cell_length_c [11.2328]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er6Ir2Ru]
_chemical_formula_sum '[Er12 Ir4 Ru2]'
_cell_volume [447.6619]
_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  0.0789  0.5378  0.7421  1.0
  Er  Er1  4  0.2277  0.1667  0.5741  1.0
  Er  Er2  4  0.3931  0.6725  0.5691  1.0
  Ir  Ir3  4  0.3183  0.6329  0.2790  1.0
  Ru  Ru4  2  0.5000  0.0000  0.5000  1.0
]