data_[Os6W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3239]
_cell_length_b [2.7795]
_cell_length_c [6.6074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [OsW]
_chemical_formula_sum '[Os6 W6]'
_cell_volume [183.2360]
_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
[
  Os  Os0  2  0.3346  0.0000  0.6686  1
  Os  Os1  2  0.3915  0.0000  0.2751  1
  Os  Os2  2  0.4976  0.5000  0.0013  1
  W  W3  2  0.0456  0.0000  0.6126  1
  W  W4  2  0.1693  0.5000  0.3320  1
  W  W5  2  0.2281  0.5000  0.9438  1
]