data_CdNiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdNiIr2
_chemical_formula_sum   'Cd1 Ni1 Ir2'
_cell_volume   61.09
_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
  Cd  Cd0  1  0.38  0.0  0.42  1.0
  Ni  Ni3  1  0.0  0.0  0.74  1.0
  Ir  Ir1  1  0.0  0.0  0.15  1.0
  Ir  Ir2  1  0.38  0.0  0.85  1.0

data_CdNiIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.76
_cell_length_b   4.78
_cell_length_c   9.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdNiIr2
_chemical_formula_sum   'Cd2 Ni2 Ir4'
_cell_volume   122.17
_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
  Cd  Cd0  2  0.38  0.0  0.42  1.0
  Ni  Ni1  2  0.0  0.0  0.74  1.0
  Ir  Ir2  2  0.0  0.0  0.15  1.0
  Ir  Ir3  2  0.38  0.0  0.85  1.0

Cd Ni Ir Ir
Cd Ni Ir Ir 0 0 + + o 0 0 o + o 0 0 + o o 0 2 o o o 0 2 + o o 0 1 o o o 1 3 o o o 2 2 + + o 2 2 o + o 2 2 + o o 2 3 - o - 2 3 o o - 