data_[Mg2Al2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4971]
_cell_length_b [3.3514]
_cell_length_c [5.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgAlCl2]
_chemical_formula_sum '[Mg2 Al2 Cl4]'
_cell_volume [246.4675]
_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
[
  Mg  Mg0  2  0.4792  0.0000  0.6273  1
  Al  Al1  2  0.1148  0.0000  0.4266  1
  Cl  Cl2  2  0.0650  0.0000  0.9829  1
  Cl  Cl3  2  0.3410  0.5000  0.4632  1
]