data_[Mg8C4Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  C  2.5500  0.7000  0.3000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2188]
_cell_length_b [3.5721]
_cell_length_c [8.0437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg4C2Cl5]
_chemical_formula_sum '[Mg8 C4 Cl10]'
_cell_volume [453.5695]
_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  4  0.0032  0.0000  0.7529  1
  Mg  Mg1  4  0.1503  0.5000  0.5733  1
  C  C2  4  0.0021  0.5000  0.4193  1
  Cl  Cl3  4  0.1666  0.0000  0.7935  1
  Cl  Cl4  4  0.1729  0.0000  0.3634  1
  Cl  Cl5  2  0.0000  0.5000  0.0000  1
]