data_Cd2BPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   129.55
_cell_angle_beta   129.55
_cell_angle_gamma   74.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BPb
_chemical_formula_sum   'Cd2 B1 Pb1'
_cell_volume   86.75
_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  0.26  0.0  0.12  1.0
  Cd  Cd2  1  0.0  0.0  0.24  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.26  0.12  1.0

data_Cd2BPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   5.31
_cell_angle_alpha   115.22
_cell_angle_beta   115.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2BPb
_chemical_formula_sum   'Cd2 B1 Pb1'
_cell_volume   86.75
_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  0.12  0.86  0.86  1.0
  Cd  Cd1  1  0.24  0.24  0.24  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.86  0.12  0.86  1.0

Cd Cd B Pb