data_Ni2PPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   34.62
_cell_angle_beta   34.62
_cell_angle_gamma   34.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PPb
_chemical_formula_sum   'Ni2 P1 Pb1'
_cell_volume   62.99
_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  0.86  1.0
  Ni  Ni1  1  0.0  0.0  0.11  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.0  0.49  1.0

data_Ni2PPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   3.59
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   110.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2PPb
_chemical_formula_sum   'Ni4 P2 Pb2'
_cell_volume   125.97
_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  -0.0  0.0  0.89  1.0
  Ni  Ni1  2  -0.0  0.0  0.14  1.0
  P  P2  2  0.0  0.0  0.0  1.0
  Pb  Pb3  2  -0.0  0.0  0.51  1.0

Ni Ni P Pb