data_NaLa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.4
_cell_length_b   4.4
_cell_length_c   8.26
_cell_angle_alpha   103.84
_cell_angle_beta   103.84
_cell_angle_gamma   58.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Cl
_chemical_formula_sum   'Na1 La2 Cl1'
_cell_volume   130.92
_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  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.18  0.0  0.41  1.0
  La  La2  1  0.25  0.0  0.54  1.0
  Cl  Cl0  1  0.71  0.0  0.97  1.0

data_NaLa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.4
_cell_length_c   8.26
_cell_angle_alpha   103.84
_cell_angle_beta   90.0
_cell_angle_gamma   119.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Cl
_chemical_formula_sum   'Na1 La2 Cl1'
_cell_volume   130.92
_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  0.0  0.0  1.0
  La  La1  1  0.0  0.75  0.46  1.0
  La  La2  1  0.0  0.82  0.59  1.0
  Cl  Cl3  1  0.0  0.29  0.03  1.0

Na La La Cl
Na La La Cl 0 3 - o - 1 2 o o o 