data_La3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   145.22
_cell_angle_beta   128.24
_cell_angle_gamma   63.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Nb
_chemical_formula_sum   'La3 Nb1'
_cell_volume   122.79
_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  0.95  0.0  0.33  1.0
  La  La1  1  0.0  0.0  0.53  1.0
  La  La2  1  0.0  0.85  0.21  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

data_La3Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   5.69
_cell_length_c   6.52
_cell_angle_alpha   115.88
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Nb
_chemical_formula_sum   'La3 Nb1'
_cell_volume   122.79
_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  0.47  0.47  0.47  1.0
  La  La1  1  0.62  0.67  0.62  1.0
  La  La2  1  0.79  0.64  0.64  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

La La La Nb