data_LaBPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   149.49
_cell_angle_beta   148.37
_cell_angle_gamma   44.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBPb
_chemical_formula_sum   'La1 B1 Pb1'
_cell_volume   69.44
_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  La1  1  0.0  0.0  0.32  1.0
  B  B0  1  0.0  0.0  0.05  1.0
  Pb  Pb2  1  0.0  0.0  0.48  1.0

data_LaBPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.49
_cell_length_c   6.4
_cell_angle_alpha   105.82
_cell_angle_beta   105.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBPb
_chemical_formula_sum   'La1 B1 Pb1'
_cell_volume   69.44
_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  0.32  0.32  1.0
  B  B1  1  0.0  0.05  0.05  1.0
  Pb  Pb2  1  0.0  0.48  0.48  1.0

La B Pb