data_TaOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.9
_cell_angle_alpha   97.73
_cell_angle_beta   97.73
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsCl2
_chemical_formula_sum   'Ta1 Os1 Cl2'
_cell_volume   78.39
_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  0.33  0.0  0.69  1.0
  Os  Os2  1  0.56  0.0  0.13  1.0
  Cl  Cl0  1  0.25  0.0  0.48  1.0
  Cl  Cl1  1  0.91  0.0  0.19  1.0

data_TaOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   7.9
_cell_angle_alpha   82.27
_cell_angle_beta   82.27
_cell_angle_gamma   64.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsCl2
_chemical_formula_sum   'Ta1 Os1 Cl2'
_cell_volume   78.39
_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  0.67  0.0  0.69  1.0
  Os  Os1  1  0.44  0.0  0.13  1.0
  Cl  Cl2  1  0.09  0.0  0.19  1.0
  Cl  Cl3  1  0.75  0.0  0.48  1.0

Ta Os Cl Cl