data_[Nb8Bi4As4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [10.7147]
_cell_length_b [4.3631]
_cell_length_c [10.7771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Nb2BiAsOs2]
_chemical_formula_sum '[Nb8 Bi4 As4 Os8]'
_cell_volume [474.7774]
_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  1  0.0038  0.0000  0.2500  1
  Nb  Nb1  1  0.1301  0.5000  0.6158  1
  Nb  Nb2  1  0.2500  0.0000  0.0114  1
  Nb  Nb3  1  0.3723  0.5000  0.3715  1
  Nb  Nb4  1  0.5032  0.0000  0.7503  1
  Nb  Nb5  1  0.6201  0.5000  0.1250  1
  Nb  Nb6  1  0.7446  0.0000  0.4942  1
  Nb  Nb7  1  0.8782  0.5000  0.8869  1
  Bi  Bi8  1  0.0048  0.0000  0.7545  1
  Bi  Bi9  1  0.3741  0.5000  0.8770  1
  Bi  Bi10  1  0.6244  0.5000  0.6267  1
  Bi  Bi11  1  0.8742  0.5000  0.3709  1
  As  As12  1  0.1245  0.5000  0.1276  1
  As  As13  1  0.2511  0.0000  0.4942  1
  As  As14  1  0.4967  0.0000  0.2494  1
  As  As15  1  0.7503  0.0000  0.0046  1
  Os  Os16  1  0.0034  0.0000  0.0137  1
  Os  Os17  1  0.1312  0.5000  0.3708  1
  Os  Os18  1  0.2546  0.0000  0.7348  1
  Os  Os19  1  0.3689  0.5000  0.1311  1
  Os  Os20  1  0.4918  0.0000  0.4903  1
  Os  Os21  1  0.6356  0.5000  0.8857  1
  Os  Os22  1  0.7373  0.0000  0.2405  1
  Os  Os23  1  0.8746  0.5000  0.6227  1
]