data_[Re4Ir12Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  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 [11.9336]
_cell_length_b [2.7337]
_cell_length_c [8.2298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Re2Ir6Ru]
_chemical_formula_sum '[Re4 Ir12 Ru2]'
_cell_volume [261.2788]
_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
[
  Re  Re0  4  0.1660  0.5000  0.2227  1
  Ir  Ir1  4  0.0004  0.0000  0.3290  1
  Ir  Ir2  4  0.1668  0.5000  0.8922  1
  Ir  Ir3  4  0.1683  0.5000  0.5545  1
  Ru  Ru4  2  0.0000  0.0000  0.0000  1
]