data_CdIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.73
_cell_angle_alpha   102.82
_cell_angle_beta   102.82
_cell_angle_gamma   33.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrW2
_chemical_formula_sum   'Cd1 Ir1 W2'
_cell_volume   66.37
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.36  0.0  0.3  1.0
  W  W2  1  0.54  0.0  0.36  1.0
  W  W3  1  0.19  0.0  0.24  1.0

data_CdIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.73
_cell_length_c   5.13
_cell_angle_alpha   102.82
_cell_angle_beta   106.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdIrW2
_chemical_formula_sum   'Cd1 Ir1 W2'
_cell_volume   66.37
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.3  0.36  1.0
  W  W2  1  0.0  0.24  0.19  1.0
  W  W3  1  0.0  0.36  0.54  1.0

Cd Ir W W
Cd Ir W W 0 3 o o o 1 3 o o o 1 2 o o o 