data_NaLa2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   6.0
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   95.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Mg
_chemical_formula_sum   'Na1 La2 Mg1'
_cell_volume   131.61
_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  La0  1  0.42  1.0  0.81  1.0
  La  La1  1  0.37  1.0  0.66  1.0
  Mg  Mg2  1  0.4  0.0  0.23  1.0

data_NaLa2Mg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.39
_cell_length_b   6.0
_cell_length_c   6.5
_cell_angle_alpha   90.0
_cell_angle_beta   95.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaLa2Mg
_chemical_formula_sum   'Na1 La2 Mg1'
_cell_volume   131.61
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  La  La1  1  0.37  0.0  0.66  1.0
  La  La2  1  0.42  0.0  0.81  1.0
  Mg  Mg3  1  0.4  0.0  0.23  1.0

Na La La Mg