data_SbIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   8.26
_cell_angle_alpha   93.82
_cell_angle_beta   93.82
_cell_angle_gamma   59.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrCl2
_chemical_formula_sum   'Sb1 Ir1 Cl2'
_cell_volume   109.39
_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
  Sb  Sb3  1  0.51  0.0  0.48  1.0
  Ir  Ir2  1  0.24  0.0  0.33  1.0
  Cl  Cl0  1  0.62  0.0  0.83  1.0
  Cl  Cl1  1  0.03  0.0  0.93  1.0

data_SbIrCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   6.78
_cell_length_c   8.26
_cell_angle_alpha   90.0
_cell_angle_beta   93.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbIrCl2
_chemical_formula_sum   'Sb2 Ir2 Cl4'
_cell_volume   218.94
_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
  Sb  Sb0  2  0.49  0.0  0.52  1.0
  Ir  Ir1  2  0.26  0.5  0.67  1.0
  Cl  Cl2  2  0.38  0.0  0.17  1.0
  Cl  Cl3  2  0.47  0.5  0.07  1.0

Sb Ir Cl Cl