data_CrIr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   4.57
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Cl
_chemical_formula_sum   'Cr1 Ir2 Cl1'
_cell_volume   58.64
_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  0.38  0.0  0.29  1.0
  Ir  Ir2  1  0.71  0.28  0.41  1.0
  Ir  Ir3  1  0.06  0.28  0.17  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_CrIr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.57
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIr2Cl
_chemical_formula_sum   'Cr1 Ir2 Cl1'
_cell_volume   58.64
_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  0.38  0.0  0.29  1.0
  Ir  Ir1  1  0.06  0.28  0.17  1.0
  Ir  Ir2  1  0.71  0.28  0.41  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cr Ir Ir Cl