data_Ni2PbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   133.59
_cell_angle_beta   133.59
_cell_angle_gamma   67.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PbW
_chemical_formula_sum   'Ni2 Pb1 W1'
_cell_volume   61.31
_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  0.94  0.04  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.94  0.0  0.04  1.0
  W  W3  1  0.0  0.0  0.08  1.0

data_Ni2PbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.92
_cell_angle_alpha   113.2
_cell_angle_beta   113.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PbW
_chemical_formula_sum   'Ni2 Pb1 W1'
_cell_volume   61.31
_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  0.0  1.0
  Ni  Ni1  1  0.1  0.04  0.1  1.0
  Pb  Pb2  1  0.04  0.1  0.1  1.0
  W  W3  1  0.08  0.08  0.08  1.0

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