data_CrCdIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdIr
_chemical_formula_sum   'Cr1 Cd1 Ir1'
_cell_volume   46.19
_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  0.0  0.0  0.47  1.0
  Cd  Cd0  1  1.0  0.6  0.04  1.0
  Ir  Ir2  1  0.39  0.8  0.41  1.0

data_CrCdIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCdIr
_chemical_formula_sum   'Cr1 Cd1 Ir1'
_cell_volume   46.19
_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  0.0  0.47  1.0
  Cd  Cd1  1  1.0  0.6  0.04  1.0
  Ir  Ir2  1  0.39  0.8  0.41  1.0

Cr Cd Ir
Cr Cd Ir 0 2 - - o 0 2 o - o 0 1 - - o 1 2 o - o 1 2 o o o 1 2 + o o 1 1 + + o 1 1 o + o 1 1 + o o 