data_TaOsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   153.81
_cell_angle_beta   153.81
_cell_angle_gamma   37.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsCl
_chemical_formula_sum   'Ta1 Os1 Cl1'
_cell_volume   59.73
_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  Ta2  1  0.0  0.0  0.67  1.0
  Os  Os1  1  0.0  0.0  0.72  1.0
  Cl  Cl0  1  0.0  0.0  0.4  1.0

data_TaOsCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   108.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaOsCl
_chemical_formula_sum   'Ta2 Os2 Cl2'
_cell_volume   119.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.33  1.0
  Os  Os1  2  0.0  0.0  0.28  1.0
  Cl  Cl2  2  0.0  0.0  0.6  1.0

Ta Os Cl