data_Cd2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.86
_cell_length_b   10.86
_cell_length_c   10.86
_cell_angle_alpha   16.34
_cell_angle_beta   16.34
_cell_angle_gamma   16.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2PbW
_chemical_formula_sum   'Cd2 Pb1 W1'
_cell_volume   88.46
_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  0.35  1.0
  Cd  Cd1  1  0.0  0.0  0.8  1.0
  Pb  Pb2  1  0.0  0.0  0.07  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Cd2PbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.35
_cell_length_b   3.09
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   99.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cd2PbW
_chemical_formula_sum   'Cd4 Pb2 W2'
_cell_volume   176.92
_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  2  0.0  0.0  0.2  1.0
  Cd  Cd1  2  0.0  0.0  0.65  1.0
  Pb  Pb2  2  0.0  0.0  0.93  1.0
  W  W3  2  0.0  0.0  0.0  1.0

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