data_[Cs8K4Mg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  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 [4.9020]
_cell_length_b [23.1159]
_cell_length_c [16.4760]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2KMgI5]
_chemical_formula_sum '[Cs8 K4 Mg4 I20]'
_cell_volume [1866.9450]
_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  0.1279  0.6855  1.0
  Cs  Cs1  4  0.0000  0.1328  0.3310  1.0
  K  K2  4  0.0000  0.2074  0.0357  1.0
  Mg  Mg3  4  0.0000  0.4418  0.4183  1.0
  I  I4  4  0.0000  0.0384  0.0051  1.0
  I  I5  4  0.0000  0.2951  0.6827  1.0
  I  I6  4  0.0000  0.3266  0.3797  1.0
  I  I7  4  0.0000  0.3566  0.0097  1.0
  I  I8  4  0.0000  0.4999  0.7762  1.0
]