data_AlNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.45
_cell_angle_alpha   102.48
_cell_angle_beta   102.48
_cell_angle_gamma   40.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Pb
_chemical_formula_sum   'Al1 Ni2 Pb1'
_cell_volume   62.82
_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
  Al  Al0  1  0.38  0.0  0.67  1.0
  Ni  Ni1  1  0.04  0.0  0.23  1.0
  Ni  Ni2  1  0.47  0.0  0.25  1.0
  Pb  Pb3  1  0.9  0.0  0.35  1.0

data_AlNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.45
_cell_length_c   4.73
_cell_angle_alpha   102.48
_cell_angle_beta   110.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2Pb
_chemical_formula_sum   'Al1 Ni2 Pb1'
_cell_volume   62.82
_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
  Al  Al0  1  0.0  0.67  0.38  1.0
  Ni  Ni1  1  0.0  0.23  0.04  1.0
  Ni  Ni2  1  0.0  0.25  0.47  1.0
  Pb  Pb3  1  0.0  0.35  0.9  1.0

Al Ni Ni Pb