data_BiIrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   4.41
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrCl2
_chemical_formula_sum   'Bi1 Ir1 Cl2'
_cell_volume   84.49
_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
  Bi  Bi0  1  0.0  0.0  0.09  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.55  0.21  0.71  1.0
  Cl  Cl2  1  0.55  0.21  0.48  1.0

data_BiIrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.41
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIrCl2
_chemical_formula_sum   'Bi1 Ir1 Cl2'
_cell_volume   84.49
_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
  Bi  Bi0  1  0.0  0.0  0.09  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.55  0.21  0.48  1.0
  Cl  Cl3  1  0.55  0.21  0.71  1.0

Bi Ir Cl Cl
Bi Ir Cl Cl 0 1 o o o 2 3 o o o 