data_ZnNiPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.22
_cell_length_c   3.07
_cell_angle_alpha   76.74
_cell_angle_beta   74.82
_cell_angle_gamma   28.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNiPb
_chemical_formula_sum   'Zn1 Ni1 Pb1'
_cell_volume   55.08
_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
  Zn  Zn2  1  0.09  0.25  0.36  1.0
  Ni  Ni0  1  0.09  0.25  0.48  1.0
  Pb  Pb1  1  0.09  0.25  0.6  1.0

data_ZnNiPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   11.72
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   132.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnNiPb
_chemical_formula_sum   'Zn2 Ni2 Pb2'
_cell_volume   110.15
_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
  Zn  Zn0  2  0.3  0.0  0.55  1.0
  Ni  Ni1  2  0.18  0.0  0.43  1.0
  Pb  Pb2  2  0.07  0.0  0.31  1.0

Zn Ni Pb
Zn Ni Pb 0 1 o o o 1 2 o o o 