data_CdRePb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   135.2
_cell_angle_beta   135.2
_cell_angle_gamma   65.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRePb2
_chemical_formula_sum   'Cd1 Re1 Pb2'
_cell_volume   92.07
_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
  Re  Re3  1  0.0  0.18  0.41  1.0
  Pb  Pb1  1  0.18  0.0  0.41  1.0
  Pb  Pb2  1  0.0  0.0  0.83  1.0

data_CdRePb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.73
_cell_angle_alpha   112.4
_cell_angle_beta   112.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdRePb2
_chemical_formula_sum   'Cd1 Re1 Pb2'
_cell_volume   92.07
_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
  Re  Re1  1  0.23  0.41  0.23  1.0
  Pb  Pb2  1  0.41  0.23  0.23  1.0
  Pb  Pb3  1  0.83  0.83  0.83  1.0

Cd Re Pb Pb