data_[Cs8Mg4In4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7321]
_cell_length_b [21.4526]
_cell_length_c [17.5953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2MgInI5]
_chemical_formula_sum '[Cs8 Mg4 In4 I20]'
_cell_volume [1786.2081]
_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  0.0813  0.6438  1.0
  Cs  Cs1  4  0.0000  0.1475  0.2965  1.0
  Mg  Mg2  4  0.0000  0.2228  0.0307  1.0
  In  In3  4  0.0000  0.4568  0.4534  1.0
  I  I4  4  0.0000  0.0940  0.0764  1.0
  I  I5  4  0.0000  0.2576  0.6446  1.0
  I  I6  4  0.0000  0.3063  0.4202  1.0
  I  I7  4  0.0000  0.3503  0.9846  1.0
  I  I8  4  0.0000  0.4953  0.7738  1.0
]