data_Cr2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76
_cell_length_b   8.76
_cell_length_c   8.76
_cell_angle_alpha   20.25
_cell_angle_beta   20.25
_cell_angle_gamma   20.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2PbW
_chemical_formula_sum   'Cr2 Pb1 W1'
_cell_volume   70.47
_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
  Cr  Cr0  1  0.0  0.0  0.73  1.0
  Cr  Cr1  1  0.0  0.0  0.01  1.0
  Pb  Pb2  1  0.0  0.0  0.87  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Cr2PbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   8.76
_cell_angle_alpha   90.0
_cell_angle_beta   101.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2PbW
_chemical_formula_sum   'Cr4 Pb2 W2'
_cell_volume   140.94
_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
  Cr  Cr0  2  0.0  0.0  0.27  1.0
  Cr  Cr1  2  0.0  0.0  0.99  1.0
  Pb  Pb2  2  0.0  0.0  0.13  1.0
  W  W3  2  0.0  0.0  0.0  1.0

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