data_BiIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   3.04
_cell_angle_alpha   105.11
_cell_angle_beta   105.11
_cell_angle_gamma   118.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Cl
_chemical_formula_sum   'Bi1 Ir2 Cl1'
_cell_volume   73.86
_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  0.89  0.0  0.0  1.0
  Ir  Ir2  1  0.67  0.45  0.3  1.0
  Ir  Ir3  1  0.67  0.55  0.3  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_BiIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.96
_cell_length_c   5.69
_cell_angle_alpha   115.6
_cell_angle_beta   105.11
_cell_angle_gamma   90.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiIr2Cl
_chemical_formula_sum   'Bi1 Ir2 Cl1'
_cell_volume   73.86
_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  0.89  1.0
  Ir  Ir1  1  0.75  0.45  0.12  1.0
  Ir  Ir2  1  0.85  0.55  0.22  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Bi Ir Ir Cl