data_[Er8Ir2Ru2]
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 [6.7766]
_cell_length_b [6.7745]
_cell_length_c [6.7734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3239]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er4IrRu]
_chemical_formula_sum '[Er8 Ir2 Ru2]'
_cell_volume [310.9514]
_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  0.1687  0.6659  0.8357  1.0
  Er  Er1  4  0.3363  0.1662  0.8324  1.0
  Ir  Ir2  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru3  2  0.5000  0.0000  0.5000  1.0
]