data_TaOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs3
_chemical_formula_sum   'Ta2 Os6'
_cell_volume   121.32
_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  Ta6  1  0.82  0.43  0.12  1.0
  Ta  Ta7  1  0.82  0.57  0.35  1.0
  Os  Os0  1  0.82  0.22  0.12  1.0
  Os  Os1  1  0.82  0.78  0.35  1.0
  Os  Os2  1  0.38  0.82  0.12  1.0
  Os  Os3  1  0.25  0.18  0.35  1.0
  Os  Os4  1  0.38  0.18  0.35  1.0
  Os  Os5  1  0.25  0.82  0.12  1.0

data_TaOs3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.46
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   119.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaOs3
_chemical_formula_sum   'Ta2 Os6'
_cell_volume   121.32
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.12  0.5  0.57  1.0
  Os  Os1  2  0.12  0.06  0.18  1.0
  Os  Os2  2  0.12  0.5  0.78  1.0
  Os  Os3  2  0.12  0.94  0.18  1.0

Ta Ta Os Os Os Os Os Os