data_NaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   7.01
_cell_angle_alpha   149.29
_cell_angle_beta   125.88
_cell_angle_gamma   63.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa
_chemical_formula_sum   'Na2 La2'
_cell_volume   140.93
_cell_formula_units_Z   2
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  0.0  0.59  0.31  1.0
  Na  Na3  1  0.86  0.59  0.65  1.0
  La  La0  1  0.86  0.41  0.39  1.0
  La  La1  1  0.0  0.78  0.57  1.0

data_NaLa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.71
_cell_length_b   6.38
_cell_length_c   7.01
_cell_angle_alpha   117.06
_cell_angle_beta   105.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaLa
_chemical_formula_sum   'Na2 La2'
_cell_volume   140.93
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.33  0.26  1.0
  La  La1  2  0.19  0.6  0.67  1.0

Na Na La La