data_NaLa2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19
_cell_length_b   6.19
_cell_length_c   6.02
_cell_angle_alpha   103.8
_cell_angle_beta   103.8
_cell_angle_gamma   31.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Nb
_chemical_formula_sum   'Na1 La2 Nb1'
_cell_volume   115.76
_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
  Na  Na2  1  0.5  0.0  0.78  1.0
  La  La0  1  0.28  0.0  0.45  1.0
  La  La1  1  0.54  0.0  0.61  1.0
  Nb  Nb3  1  0.76  0.0  0.74  1.0

data_NaLa2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   6.02
_cell_length_c   6.19
_cell_angle_alpha   103.8
_cell_angle_beta   105.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Nb
_chemical_formula_sum   'Na1 La2 Nb1'
_cell_volume   115.76
_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
  Na  Na0  1  0.0  0.78  0.5  1.0
  La  La1  1  0.0  0.45  0.28  1.0
  La  La2  1  0.0  0.61  0.54  1.0
  Nb  Nb3  1  0.0  0.74  0.76  1.0

Na La La Nb
Na La La Nb 0 2 o o o 1 2 o o o 2 3 o o o 