data_NiPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   40.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPb2W
_chemical_formula_sum   'Ni1 Pb2 W1'
_cell_volume   82.86
_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
  Ni  Ni0  1  0.0  0.0  0.23  1.0
  Pb  Pb1  1  0.1  0.0  0.34  1.0
  Pb  Pb2  1  0.0  0.0  0.25  1.0
  W  W3  1  0.1  0.0  0.92  1.0

data_NiPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   4.2
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   110.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPb2W
_chemical_formula_sum   'Ni1 Pb2 W1'
_cell_volume   82.86
_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
  Ni  Ni0  1  0.77  0.0  0.77  1.0
  Pb  Pb1  1  0.66  0.1  0.66  1.0
  Pb  Pb2  1  0.75  0.0  0.75  1.0
  W  W3  1  0.08  0.1  0.08  1.0

Ni Pb Pb W
Ni Pb Pb W 0 2 o o o 0 1 o o o 0 3 o o - 1 2 o o o 2 3 o o - 