data_[Nb2Al10Os12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3195]
_cell_length_b [6.1195]
_cell_length_c [12.8885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [NbAl5Os6]
_chemical_formula_sum '[Nb2 Al10 Os12]'
_cell_volume [340.6858]
_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  2  0.0000  0.0000  0.0000  1
  Al  Al1  4  0.0000  0.0000  0.3315  1
  Al  Al2  4  0.0000  0.5000  0.3363  1
  Al  Al3  2  0.0000  0.5000  0.0000  1
  Os  Os4  8  0.0000  0.2558  0.1698  1
  Os  Os5  4  0.0000  0.2401  0.5000  1
]