data_Ni2PbCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   121.66
_cell_angle_beta   121.66
_cell_angle_gamma   87.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PbCl
_chemical_formula_sum   'Ni2 Pb1 Cl1'
_cell_volume   67.45
_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  0.25  0.0  0.67  1.0
  Ni  Ni2  1  0.0  0.25  0.67  1.0
  Pb  Pb3  1  0.0  0.0  0.34  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ni2PbCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   133.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2PbCl
_chemical_formula_sum   'Ni4 Pb2 Cl2'
_cell_volume   134.9
_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  4  0.45  0.12  0.58  1.0
  Pb  Pb1  2  0.16  0.5  0.66  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Ni Ni Pb Cl
Ni Ni Pb Cl 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 