data_CrIrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.57
_cell_length_b   7.28
_cell_length_c   2.84
_cell_angle_alpha   84.66
_cell_angle_beta   73.43
_cell_angle_gamma   21.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrIrCl
_chemical_formula_sum   'Cr1 Ir1 Cl1'
_cell_volume   49.06
_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  0.39  0.47  0.84  1.0
  Ir  Ir2  1  0.39  0.47  0.95  1.0
  Cl  Cl0  1  0.39  0.47  0.82  1.0

data_CrIrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.77
_cell_length_b   14.3
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   119.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrIrCl
_chemical_formula_sum   'Cr2 Ir2 Cl2'
_cell_volume   98.11
_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
  Cr  Cr0  2  0.47  0.0  0.78  1.0
  Ir  Ir1  2  0.47  0.0  0.67  1.0
  Cl  Cl2  2  0.47  0.0  0.79  1.0

Cr Ir Cl