data_BaNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   4.81
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Pb
_chemical_formula_sum   'Ba1 Ni2 Pb1'
_cell_volume   87.14
_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
  Ba  Ba0  1  0.79  0.0  0.53  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.41  0.53  1.0
  Pb  Pb3  1  0.79  0.41  0.0  1.0

data_BaNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.81
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNi2Pb
_chemical_formula_sum   'Ba1 Ni2 Pb1'
_cell_volume   87.14
_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
  Ba  Ba0  1  0.79  0.0  0.53  1.0
  Ni  Ni1  1  -0.0  0.41  0.53  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.79  0.41  0.0  1.0

Ba Ni Ni Pb
Ba Ni Ni Pb 0 1 + o + 0 2 + o o 1 3 - o o 2 3 - o + 