data_Ta5Os3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Os3
_chemical_formula_sum   'Ta5 Os3'
_cell_volume   132.41
_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  0.0  1.0
  Ta  Ta4  1  0.61  0.73  0.0  1.0
  Ta  Ta5  1  0.61  0.27  0.0  1.0
  Ta  Ta6  1  0.82  0.0  0.27  1.0
  Ta  Ta7  1  0.61  0.0  0.27  1.0
  Os  Os0  1  0.22  0.0  0.0  1.0
  Os  Os1  1  0.22  0.75  0.27  1.0
  Os  Os2  1  0.22  0.25  0.27  1.0

data_Ta5Os3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   109.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5Os3
_chemical_formula_sum   'Ta5 Os3'
_cell_volume   132.41
_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  0.61  0.27  1.0
  Ta  Ta1  1  -0.0  0.61  0.73  1.0
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.27  0.61  0.0  1.0
  Ta  Ta4  1  0.27  0.82  0.0  1.0
  Os  Os5  1  0.0  0.22  0.0  1.0
  Os  Os6  1  0.27  0.22  0.25  1.0
  Os  Os7  1  0.27  0.22  0.75  1.0

Ta Ta Ta Ta Ta Os Os Os
Ta Ta Ta Ta Ta Os Os Os 0 5 o o o 0 1 - - o 0 7 o o o 1 4 o + o 1 3 o + o 2 5 o o o 2 4 o o o 3 4 o o o 3 7 + o o 4 6 o - o 5 6 o - o 5 7 o o o 