data_[Cs8Li4Mg4I20]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6909]
_cell_length_b [22.7196]
_cell_length_c [15.4638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiMgI5]
_chemical_formula_sum '[Cs8 Li4 Mg4 I20]'
_cell_volume [1648.0455]
_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  0.1197  0.6930  1.0
  Cs  Cs1  4  0.0000  0.1256  0.3059  1.0
  Li  Li2  4  0.0000  0.4213  0.4385  1.0
  Mg  Mg3  4  0.0000  0.2090  0.0196  1.0
  I  I4  4  0.0000  0.0821  0.0367  1.0
  I  I5  4  0.0000  0.2858  0.6466  1.0
  I  I6  4  0.0000  0.3023  0.3846  1.0
  I  I7  4  0.0000  0.3335  0.0009  1.0
  I  I8  4  0.0000  0.4922  0.2981  1.0
]