data_[Cs8Li4Mg4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1121]
_cell_length_b [20.0401]
_cell_length_c [13.8442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiMgCl5]
_chemical_formula_sum '[Cs8 Li4 Mg4 Cl20]'
_cell_volume [1140.8495]
_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
[
  Cs  Cs0  4  0.0000  0.1184  0.6898  1.0
  Cs  Cs1  4  0.0000  0.1268  0.3057  1.0
  Li  Li2  4  0.0000  0.4226  0.4432  1.0
  Mg  Mg3  4  0.0000  0.2085  0.0172  1.0
  Cl  Cl4  4  0.0000  0.0850  0.0321  1.0
  Cl  Cl5  4  0.0000  0.2875  0.6361  1.0
  Cl  Cl6  4  0.0000  0.3058  0.3912  1.0
  Cl  Cl7  4  0.0000  0.3286  0.9994  1.0
  Cl  Cl8  4  0.0000  0.4900  0.3092  1.0
]