data_[Mg4B8Cl32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.8710]
_cell_length_b [8.8542]
_cell_length_c [10.6319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mg(BCl4)2]
_chemical_formula_sum '[Mg4 B8 Cl32]'
_cell_volume [1298.9555]
_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  0.0000  0.0204  0.7500  1
  B  B1  8  0.0862  0.2253  0.0419  1
  Cl  Cl2  8  0.0445  0.2195  0.6290  1
  Cl  Cl3  8  0.0927  0.1922  0.2243  1
  Cl  Cl4  8  0.1437  0.4008  0.0571  1
  Cl  Cl5  8  0.1480  0.0608  0.0157  1
]