data_[Os8Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5462]
_cell_length_b [7.3034]
_cell_length_c [8.5660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0937]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [OsSe2]
_chemical_formula_sum '[Os8 Se16]'
_cell_volume [544.3848]
_cell_formula_units_Z [8]
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  4  0.0000  0.2327  0.0000  1.0
  Os  Os1  4  0.1978  0.0000  0.9796  1.0
  Se  Se2  8  0.2150  0.2364  0.7777  1.0
  Se  Se3  4  0.0078  0.5000  0.8167  1.0
  Se  Se4  4  0.0767  0.0000  0.2709  1.0
]