data_TaNb2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   5.39
_cell_angle_alpha   145.25
_cell_angle_beta   129.7
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Os
_chemical_formula_sum   'Ta1 Nb2 Os1'
_cell_volume   68.04
_cell_formula_units_Z   1
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  Ta3  1  0.0  0.0  0.95  1.0
  Nb  Nb0  1  0.61  0.0  0.6  1.0
  Nb  Nb1  1  0.0  0.0  0.28  1.0
  Os  Os2  1  0.0  0.29  0.61  1.0

data_TaNb2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.58
_cell_length_c   5.39
_cell_angle_alpha   115.15
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb2Os
_chemical_formula_sum   'Ta1 Nb2 Os1'
_cell_volume   68.04
_cell_formula_units_Z   1
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  1  0.0  0.95  0.95  1.0
  Nb  Nb1  1  0.0  0.28  0.28  1.0
  Nb  Nb2  1  0.0  0.6  0.99  1.0
  Os  Os3  1  0.71  0.32  0.32  1.0

Ta Nb Nb Os