data_NaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   9.09
_cell_angle_alpha   103.95
_cell_angle_beta   103.95
_cell_angle_gamma   29.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa
_chemical_formula_sum   'Na3 La3'
_cell_volume   216.52
_cell_formula_units_Z   3
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  Na3  1  0.0  0.0  0.87  1.0
  Na  Na4  1  0.36  0.0  0.41  1.0
  Na  Na5  1  0.68  0.0  0.26  1.0
  La  La0  1  1.0  0.0  0.17  1.0
  La  La1  1  0.3  0.0  0.85  1.0
  La  La2  1  0.61  0.0  0.38  1.0

data_NaLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   7.02
_cell_length_c   9.09
_cell_angle_alpha   103.95
_cell_angle_beta   90.0
_cell_angle_gamma   104.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa
_chemical_formula_sum   'Na3 La3'
_cell_volume   216.52
_cell_formula_units_Z   3
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  0.32  0.74  1.0
  Na  Na1  1  0.0  0.64  0.59  1.0
  Na  Na2  1  0.0  1.0  0.13  1.0
  La  La3  1  0.0  0.0  0.83  1.0
  La  La4  1  0.0  0.39  0.62  1.0
  La  La5  1  0.0  0.7  0.15  1.0

Na Na Na La La La
Na Na Na La La La 0 4 o o o 0 3 - o + 1 5 o o o 1 3 - o o 2 5 o o o 2 3 o o o 