data_[Na2La2Mg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.2627]
_cell_length_b [6.6297]
_cell_length_c [12.2612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaLaMg6]
_chemical_formula_sum '[Na2 La2 Mg12]'
_cell_volume [427.7967]
_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  Na0  2  0.5000  0.0000  0.6483  1
  La  La1  2  0.0000  0.0000  0.8184  1
  Mg  Mg2  4  0.0000  0.2376  0.0715  1
  Mg  Mg3  4  0.5000  0.2441  0.9241  1
  Mg  Mg4  2  0.0000  0.0000  0.3517  1
  Mg  Mg5  2  0.5000  0.0000  0.1904  1
]