data_[Mg2Cl10]
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 [Cm]
_cell_length_a [16.1873]
_cell_length_b [3.2874]
_cell_length_c [7.3916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCl5]
_chemical_formula_sum '[Mg2 Cl10]'
_cell_volume [384.2357]
_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  0.2124  0.0000  0.0652  1.0
  Cl  Cl1  2  0.1394  0.5000  0.2205  1.0
  Cl  Cl2  2  0.2177  0.5000  0.8237  1.0
  Cl  Cl3  2  0.3564  0.0000  0.2396  1.0
  Cl  Cl4  2  0.4257  0.5000  0.6086  1.0
  Cl  Cl5  2  0.4818  0.5000  0.8756  1.0
]