data_[Nb8B8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  B  2.0400  0.8500  0.4100
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [5.9295]
_cell_length_b [5.9295]
_cell_length_c [6.8976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [Nb2B2Os]
_chemical_formula_sum '[Nb8 B8 Os4]'
_cell_volume [242.5114]
_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
[
  Nb  Nb0  8  0.1643  0.6856  0.0000  1.0
  B  B1  8  0.1131  0.3869  0.2500  1.0
  Os  Os2  4  0.0000  0.0000  0.2790  1.0
]