data_[Os4Se16]
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]
_cell_length_a [5.2527]
_cell_length_b [21.9219]
_cell_length_c [17.8157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [OsSe4]
_chemical_formula_sum '[Os4 Se16]'
_cell_volume [2051.4725]
_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  2  0.0000  0.0060  0.0000  1
  Os  Os1  2  0.0000  0.6303  0.0000  1
  Se  Se2  4  0.1929  0.4404  0.9558  1
  Se  Se3  4  0.2079  0.8065  0.9751  1
  Se  Se4  4  0.2374  0.0733  0.9212  1
  Se  Se5  4  0.2467  0.1982  0.0648  1
]