data_Na2LaCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   152.28
_cell_angle_beta   136.59
_cell_angle_gamma   52.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaCl
_chemical_formula_sum   'Na2 La1 Cl1'
_cell_volume   117.82
_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  0.0  0.66  0.63  1.0
  Na  Na3  1  0.72  0.0  0.81  1.0
  La  La1  1  0.0  0.0  0.45  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Na2LaCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.31
_cell_length_c   7.18
_cell_angle_alpha   111.71
_cell_angle_beta   103.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaCl
_chemical_formula_sum   'Na2 La1 Cl1'
_cell_volume   117.82
_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  0.37  0.02  0.02  1.0
  Na  Na1  1  0.91  0.19  0.91  1.0
  La  La2  1  0.55  0.55  0.55  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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