data_LaNi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.62
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   97.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Pb
_chemical_formula_sum   'La1 Ni2 Pb1'
_cell_volume   82.05
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.58  0.81  0.73  1.0
  Ni  Ni2  1  0.91  0.81  0.93  1.0
  Pb  Pb3  1  0.54  0.0  0.33  1.0

data_LaNi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   3.62
_cell_length_c   6.72
_cell_angle_alpha   90.0
_cell_angle_beta   97.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Pb
_chemical_formula_sum   'La1 Ni2 Pb1'
_cell_volume   82.05
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.58  0.81  0.73  1.0
  Ni  Ni2  1  0.91  0.81  0.93  1.0
  Pb  Pb3  1  0.54  0.0  0.33  1.0

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