data_[Mg4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9146]
_cell_length_b [7.6551]
_cell_length_c [6.3336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCl2]
_chemical_formula_sum '[Mg4 Cl8]'
_cell_volume [492.3493]
_cell_formula_units_Z [4]
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  4  0.1348  0.0000  0.4946  1
  Cl  Cl1  4  0.0917  0.0000  0.8214  1
  Cl  Cl2  4  0.2500  0.2500  0.5000  1
]