data_[Er16Ir4Ru2]
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 [C2/m]
_cell_length_a [17.1117]
_cell_length_b [4.8344]
_cell_length_c [6.8058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Ir2Ru]
_chemical_formula_sum '[Er16 Ir4 Ru2]'
_cell_volume [536.7627]
_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  0.0310  0.0000  0.7935  1.0
  Er  Er1  4  0.0956  0.5000  0.4526  1.0
  Er  Er2  4  0.1670  0.5000  0.9626  1.0
  Er  Er3  4  0.2031  0.0000  0.3103  1.0
  Ir  Ir4  4  0.1862  0.0000  0.7005  1.0
  Ru  Ru5  2  0.0000  0.5000  0.0000  1.0
]