data_[Re6Os6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0361]
_cell_length_b [2.7645]
_cell_length_c [6.5295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReOs]
_chemical_formula_sum '[Re6 Os6]'
_cell_volume [176.0920]
_cell_formula_units_Z [6]
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  2  0.0530  0.0000  0.6128  1.0
  Re  Re1  2  0.1672  0.5000  0.3311  1.0
  Re  Re2  2  0.2238  0.5000  0.9458  1.0
  Os  Os3  2  0.3340  0.0000  0.6664  1.0
  Os  Os4  2  0.3897  0.0000  0.2769  1.0
  Os  Os5  2  0.4990  0.5000  0.0003  1.0
]