data_Nb2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   131.37
_cell_angle_beta   131.37
_cell_angle_gamma   71.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2PbW
_chemical_formula_sum   'Nb2 Pb1 W1'
_cell_volume   76.97
_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
  Nb  Nb0  1  0.14  0.0  0.11  1.0
  Nb  Nb1  1  0.0  0.14  0.11  1.0
  Pb  Pb2  1  0.0  0.0  0.22  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Nb2PbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   125.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2PbW
_chemical_formula_sum   'Nb4 Pb2 W2'
_cell_volume   153.94
_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
  Nb  Nb0  4  0.46  0.43  0.03  1.0
  Pb  Pb1  2  0.28  0.5  0.78  1.0
  W  W2  2  0.0  0.0  0.0  1.0

Nb Nb Pb W