data_[Os4Se8]
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 [13.1894]
_cell_length_b [3.6793]
_cell_length_c [5.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [OsSe2]
_chemical_formula_sum '[Os4 Se8]'
_cell_volume [274.6255]
_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
[
  Os  Os0  4  0.2478  0.5000  0.8016  1.0
  Se  Se1  4  0.1209  0.0000  0.8431  1.0
  Se  Se2  4  0.1555  0.5000  0.3618  1.0
]