data_[Ta8Nb6Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.4597]
_cell_length_b [5.5812]
_cell_length_c [5.4213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ta4Nb3Os]
_chemical_formula_sum '[Ta8 Nb6 Os2]'
_cell_volume [286.2248]
_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
[
  Ta  Ta0  4  0.2490  0.4380  0.0519  1
  Ta  Ta1  2  0.0000  0.2974  0.3245  1
  Ta  Ta2  2  0.0000  0.7993  0.3257  1
  Nb  Nb3  4  0.2489  0.9385  0.0604  1
  Nb  Nb4  2  0.0000  0.7034  0.8210  1
  Os  Os5  2  0.0000  0.2125  0.8194  1
]