data_NiBiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   152.43
_cell_angle_beta   152.43
_cell_angle_gamma   39.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiPb
_chemical_formula_sum   'Ni1 Bi1 Pb1'
_cell_volume   74.15
_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  Ni1  1  0.0  0.0  0.52  1.0
  Bi  Bi0  1  0.0  0.0  0.68  1.0
  Pb  Pb2  1  0.0  0.0  0.26  1.0

data_NiBiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiBiPb
_chemical_formula_sum   'Ni2 Bi2 Pb2'
_cell_volume   148.3
_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
  Ni  Ni0  2  0.02  0.5  0.52  1.0
  Bi  Bi1  2  0.18  0.5  0.68  1.0
  Pb  Pb2  2  0.26  0.0  0.26  1.0

Ni Bi Pb
Ni Bi Pb 0 1 o o o 0 2 o o o 