data_[Ti2Nb28Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5917]
_cell_length_b [9.2660]
_cell_length_c [9.3380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [TiNb14Os]
_chemical_formula_sum '[Ti2 Nb28 Os2]'
_cell_volume [570.3498]
_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
[
  Ti  Ti0  2  0.0000  0.5000  0.5000  1
  Nb  Nb1  8  0.0000  0.2529  0.2539  1
  Nb  Nb2  8  0.2451  0.0000  0.2568  1
  Nb  Nb3  4  0.2500  0.2500  0.0000  1
  Nb  Nb4  4  0.2500  0.2500  0.5000  1
  Nb  Nb5  2  0.0000  0.0000  0.0000  1
  Nb  Nb6  2  0.0000  0.5000  0.0000  1
  Os  Os7  2  0.0000  0.0000  0.5000  1
]