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 [Cm]
_cell_length_a [8.2879]
_cell_length_b [12.4910]
_cell_length_c [5.7478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Er8Ir2Ru]
_chemical_formula_sum '[Er16 Ir4 Ru2]'
_cell_volume [563.3791]
_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  0.2069  0.1273  0.5821  1
  Er  Er1  4  0.2995  0.3723  0.3886  1
  Er  Er2  4  0.5000  0.2855  0.9908  1
  Er  Er3  2  0.1444  0.5000  0.8072  1
  Er  Er4  2  0.3623  0.0000  0.1785  1
  Ir  Ir5  4  0.0063  0.3110  0.4953  1
  Ru  Ru6  2  0.0018  0.0000  0.1005  1
]