data_Ni2AsPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   6.02
_cell_angle_alpha   110.19
_cell_angle_beta   110.19
_cell_angle_gamma   60.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AsPb
_chemical_formula_sum   'Ni2 As1 Pb1'
_cell_volume   71.72
_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  0.83  0.0  0.82  1.0
  Ni  Ni2  1  0.48  0.0  0.7  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.15  0.0  0.76  1.0

data_Ni2AsPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   3.87
_cell_length_c   5.93
_cell_angle_alpha   91.38
_cell_angle_beta   107.63
_cell_angle_gamma   119.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2AsPb
_chemical_formula_sum   'Ni2 As1 Pb1'
_cell_volume   71.72
_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  0.01  0.0  0.18  1.0
  Ni  Ni1  1  0.78  0.0  0.3  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.39  0.0  0.24  1.0

Ni Ni As Pb