data_NaLa2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.37
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Mg
_chemical_formula_sum   'Na1 La2 Mg1'
_cell_volume   130.74
_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  0.38  0.0  0.14  1.0
  La  La0  1  0.3  0.68  0.06  1.0
  La  La1  1  0.47  0.0  0.78  1.0
  Mg  Mg2  1  0.56  0.68  0.47  1.0

data_NaLa2Mg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.37
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Mg
_chemical_formula_sum   'Na1 La2 Mg1'
_cell_volume   130.74
_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  0.38  0.0  0.14  1.0
  La  La1  1  0.3  0.68  0.06  1.0
  La  La2  1  0.47  0.0  0.78  1.0
  Mg  Mg3  1  0.56  0.68  0.47  1.0

Na La La Mg
Na La La Mg 0 1 o - o 0 2 o o - 0 3 o - o 1 2 o + - 1 3 o o o 2 3 o - o 