data_Ta2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.83
_cell_length_b   13.83
_cell_length_c   13.83
_cell_angle_alpha   163.86
_cell_angle_beta   163.86
_cell_angle_gamma   22.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Os
_chemical_formula_sum   'Ta8 Os4'
_cell_volume   204.35
_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
  Ta  Ta4  1  0.0  0.0  0.82  1.0
  Ta  Ta5  1  0.0  0.0  0.3  1.0
  Ta  Ta6  1  0.94  0.0  0.04  1.0
  Ta  Ta7  1  0.94  0.0  0.52  1.0
  Ta  Ta8  1  0.0  0.0  0.25  1.0
  Ta  Ta9  1  0.0  0.0  0.86  1.0
  Ta  Ta10  1  0.94  0.0  0.47  1.0
  Ta  Ta11  1  0.94  0.0  0.08  1.0
  Os  Os0  1  0.0  0.0  0.28  1.0
  Os  Os1  1  0.0  0.0  0.83  1.0
  Os  Os2  1  0.0  0.94  0.06  1.0
  Os  Os3  1  0.0  0.94  0.5  1.0

data_Ta2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   13.83
_cell_angle_alpha   98.07
_cell_angle_beta   98.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2Os
_chemical_formula_sum   'Ta8 Os4'
_cell_volume   204.35
_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
  Ta  Ta0  1  0.04  0.1  0.1  1.0
  Ta  Ta1  1  0.08  0.14  0.14  1.0
  Ta  Ta2  1  0.25  0.25  0.25  1.0
  Ta  Ta3  1  0.3  0.3  0.3  1.0
  Ta  Ta4  1  0.47  0.53  0.53  1.0
  Ta  Ta5  1  0.52  0.58  0.58  1.0
  Ta  Ta6  1  0.82  0.82  0.82  1.0
  Ta  Ta7  1  0.86  0.86  0.86  1.0
  Os  Os8  1  0.12  0.06  0.12  1.0
  Os  Os9  1  0.28  0.28  0.28  1.0
  Os  Os10  1  0.56  0.5  0.56  1.0
  Os  Os11  1  0.83  0.83  0.83  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Os Os Os Os
Ta Ta Ta Ta Ta Ta Ta Ta Os Os Os Os 0 9 o o o 1 8 o o o 2 10 + - o 3 11 + - o 4 8 o o o 5 9 o o o 6 11 + - o 7 10 + - o 