data_CrInIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.11
_cell_length_c   2.85
_cell_angle_alpha   76.83
_cell_angle_beta   76.25
_cell_angle_gamma   26.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInIr
_chemical_formula_sum   'Cr1 In1 Ir1'
_cell_volume   46.95
_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  0.99  0.04  0.18  1.0
  In  In1  1  0.99  0.04  0.88  1.0
  Ir  Ir2  1  0.99  0.04  0.5  1.0

data_CrInIr
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.85
_cell_length_b   11.56
_cell_length_c   2.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   CrInIr
_chemical_formula_sum   'Cr2 In2 Ir2'
_cell_volume   93.92
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.5  0.22  1.0
  In  In1  2  0.0  0.5  0.92  1.0
  Ir  Ir2  2  0.0  0.5  0.53  1.0

Cr In Ir