data_NiPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   39.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPtPb2
_chemical_formula_sum   'Ni1 Pt1 Pb2'
_cell_volume   82.58
_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  0.61  1.0
  Pt  Pt3  1  0.06  0.0  0.95  1.0
  Pb  Pb1  1  0.06  0.0  0.54  1.0
  Pb  Pb2  1  0.0  0.0  0.43  1.0

data_NiPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.12
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   109.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiPtPb2
_chemical_formula_sum   'Ni1 Pt1 Pb2'
_cell_volume   82.58
_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  0.39  0.0  0.39  1.0
  Pt  Pt1  1  0.05  0.06  0.05  1.0
  Pb  Pb2  1  0.46  0.06  0.46  1.0
  Pb  Pb3  1  0.57  0.0  0.57  1.0

Ni Pt Pb Pb
Ni Pt Pb Pb 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 