data_La3Nb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Nb2
_chemical_formula_sum   'La3 Nb2'
_cell_volume   145.25
_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
  La  La1  1  0.6  0.5  0.92  1.0
  La  La2  1  0.0  0.0  0.28  1.0
  Nb  Nb3  1  0.6  0.5  0.43  1.0
  Nb  Nb4  1  0.0  0.0  0.76  1.0

data_La3Nb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Nb2
_chemical_formula_sum   'La3 Nb2'
_cell_volume   145.25
_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
  La  La1  1  0.0  0.0  0.28  1.0
  La  La2  1  0.6  0.5  0.92  1.0
  Nb  Nb3  1  0.0  0.0  0.76  1.0
  Nb  Nb4  1  0.6  0.5  0.43  1.0

La La La Nb Nb