data_SbIrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92
_cell_length_b   6.81
_cell_length_c   3.21
_cell_angle_alpha   78.41
_cell_angle_beta   74.6
_cell_angle_gamma   27.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbIrCl
_chemical_formula_sum   'Sb1 Ir1 Cl1'
_cell_volume   65.95
_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  Sb2  1  0.1  0.43  0.15  1.0
  Ir  Ir1  1  0.1  0.43  0.27  1.0
  Cl  Cl0  1  0.1  0.43  0.5  1.0

data_SbIrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   12.96
_cell_length_c   3.21
_cell_angle_alpha   90.0
_cell_angle_beta   130.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SbIrCl
_chemical_formula_sum   'Sb2 Ir2 Cl2'
_cell_volume   131.9
_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  0.33  0.0  0.75  1.0
  Ir  Ir1  2  0.21  0.0  0.63  1.0
  Cl  Cl2  2  0.47  0.5  0.4  1.0

Sb Ir Cl
Sb Ir Cl 0 1 o o o 1 2 o o o 