data_Cd2RePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   137.54
_cell_angle_beta   137.54
_cell_angle_gamma   61.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2RePb
_chemical_formula_sum   'Cd2 Re1 Pb1'
_cell_volume   81.7
_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  0.05  0.0  0.43  1.0
  Cd  Cd1  1  0.0  0.05  0.43  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.0  0.86  1.0

data_Cd2RePb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   120.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2RePb
_chemical_formula_sum   'Cd4 Re2 Pb2'
_cell_volume   163.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.48  0.48  0.38  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.86  1.0

Cd Cd Re Pb