data_CdMoPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   142.45
_cell_angle_beta   126.5
_cell_angle_gamma   67.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoPb2
_chemical_formula_sum   'Cd1 Mo1 Pb2'
_cell_volume   96.26
_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  0.87  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.88  0.0  0.26  1.0
  Pb  Pb3  1  0.0  0.63  0.61  1.0

data_CdMoPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.26
_cell_length_c   5.84
_cell_angle_alpha   116.75
_cell_angle_beta   108.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoPb2
_chemical_formula_sum   'Cd1 Mo1 Pb2'
_cell_volume   96.26
_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  0.87  0.87  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.0  0.26  0.37  1.0
  Pb  Pb3  1  0.37  0.98  0.98  1.0

Cd Mo Pb Pb
Cd Mo Pb Pb 0 1 o o + 0 3 o - o 1 2 - o o 1 3 o - - 