data_[Nb4Os2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3431]
_cell_length_b [6.2181]
_cell_length_c [11.4555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9878]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nb2OsSe6]
_chemical_formula_sum '[Nb4 Os2 Se12]'
_cell_volume [383.2238]
_cell_formula_units_Z [2]
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
[
  Nb  Nb0  4  0.1784  0.1594  0.7487  1
  Os  Os1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.0822  0.1665  0.4213  1
  Se  Se3  4  0.2389  0.6600  0.4240  1
  Se  Se4  4  0.4472  0.0294  0.2681  1
]