data_[Re12Os8Ru16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4432]
_cell_length_b [9.1239]
_cell_length_c [4.7256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1200]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Re3(OsRu2)2]
_chemical_formula_sum '[Re12 Os8 Ru16]'
_cell_volume [529.7225]
_cell_formula_units_Z [4]
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  8  0.1680  0.0958  0.5943  1
  Re  Re1  4  0.0000  0.4086  0.7500  1
  Ru  Ru2  8  0.0483  0.1385  0.0101  1
  Os  Os3  8  0.1200  0.3565  0.3186  1
  Ru  Ru4  8  0.2129  0.3613  0.8511  1
]