data_Cd2BIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.48
_cell_length_b   7.48
_cell_length_c   3.35
_cell_angle_alpha   97.12
_cell_angle_beta   97.12
_cell_angle_gamma   21.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BIr
_chemical_formula_sum   'Cd2 B1 Ir1'
_cell_volume   68.69
_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  0.7  0.0  0.29  1.0
  Cd  Cd2  1  0.57  0.0  0.03  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.14  0.0  0.66  1.0

data_Cd2BIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.35
_cell_length_c   7.48
_cell_angle_alpha   97.12
_cell_angle_beta   100.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BIr
_chemical_formula_sum   'Cd2 B1 Ir1'
_cell_volume   68.69
_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  0.03  0.57  1.0
  Cd  Cd1  1  0.0  0.29  0.7  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.66  0.14  1.0

Cd Cd B Ir