data_CrIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.09
_cell_angle_alpha   97.12
_cell_angle_beta   97.12
_cell_angle_gamma   35.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Cl
_chemical_formula_sum   'Cr1 Ir2 Cl1'
_cell_volume   73.44
_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
  Cr  Cr1  1  0.64  0.0  0.04  1.0
  Ir  Ir2  1  0.4  0.0  0.15  1.0
  Ir  Ir3  1  0.04  0.0  0.09  1.0
  Cl  Cl0  1  0.9  0.0  0.77  1.0

data_CrIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.6
_cell_length_c   6.09
_cell_angle_alpha   97.12
_cell_angle_beta   90.0
_cell_angle_gamma   107.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Cl
_chemical_formula_sum   'Cr1 Ir2 Cl1'
_cell_volume   73.44
_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
  Cr  Cr0  1  0.0  0.36  0.96  1.0
  Ir  Ir1  1  0.0  0.6  0.85  1.0
  Ir  Ir2  1  0.0  0.96  0.91  1.0
  Cl  Cl3  1  0.0  0.1  0.23  1.0

Cr Ir Ir Cl