data_LaNiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   3.42
_cell_angle_alpha   100.1
_cell_angle_beta   100.1
_cell_angle_gamma   117.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiPb2
_chemical_formula_sum   'La1 Ni1 Pb2'
_cell_volume   107.51
_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  0.18  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.01  0.63  0.61  1.0
  Pb  Pb3  1  0.01  0.37  0.61  1.0

data_LaNiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   6.12
_cell_length_c   6.15
_cell_angle_alpha   116.12
_cell_angle_beta   100.1
_cell_angle_gamma   101.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiPb2
_chemical_formula_sum   'La1 Ni1 Pb2'
_cell_volume   107.51
_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  0.18  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.24  0.63  0.64  1.0
  Pb  Pb3  1  0.98  0.37  0.38  1.0

La Ni Pb Pb