data_Cd2BiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.94
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiIr
_chemical_formula_sum   'Cd2 Bi1 Ir1'
_cell_volume   87.34
_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  Cd1  1  0.6  0.97  0.56  1.0
  Cd  Cd2  1  0.6  0.97  0.38  1.0
  Bi  Bi0  1  0.0  0.0  0.47  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

data_Cd2BiIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.94
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BiIr
_chemical_formula_sum   'Cd2 Bi1 Ir1'
_cell_volume   87.34
_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  0.6  0.97  0.38  1.0
  Cd  Cd1  1  0.6  0.97  0.56  1.0
  Bi  Bi2  1  0.0  0.0  0.47  1.0
  Ir  Ir3  1  0.0  0.0  0.0  1.0

Cd Cd Bi Ir
Cd Cd Bi Ir 0 2 + + o 0 1 o o o 0 3 + + + 0 3 o + + 1 2 + + o 1 3 + + o 1 3 o + o 2 3 o o + 2 3 o o o 3 3 + o o 