data_[Os12Se20]
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 [Ama2]
_cell_length_a [5.2347]
_cell_length_b [7.8929]
_cell_length_c [14.5427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [Os3Se5]
_chemical_formula_sum '[Os12 Se20]'
_cell_volume [600.8566]
_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  0.2500  0.2929  0.7237  1
  Os  Os1  4  0.2500  0.2963  0.3051  1
  Os  Os2  4  0.2500  0.4129  0.0209  1
  Se  Se3  4  0.0000  0.0000  0.3171  1
  Se  Se4  4  0.0000  0.0000  0.6591  1
  Se  Se5  4  0.2500  0.1105  0.8567  1
  Se  Se6  4  0.2500  0.1545  0.1360  1
  Se  Se7  4  0.2500  0.2229  0.4786  1
]