data_[Cs8Na4Mg4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  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 [4.7346]
_cell_length_b [22.6327]
_cell_length_c [16.0333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2NaMgI5]
_chemical_formula_sum '[Cs8 Na4 Mg4 I20]'
_cell_volume [1718.0565]
_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  0.1110  0.6819  1.0
  Cs  Cs1  4  0.0000  0.1352  0.3017  1.0
  Na  Na2  4  0.0000  0.4331  0.4424  1.0
  Mg  Mg3  4  0.0000  0.2140  0.0219  1.0
  I  I4  4  0.0000  0.0874  0.0565  1.0
  I  I5  4  0.0000  0.2766  0.6451  1.0
  I  I6  4  0.0000  0.3002  0.3933  1.0
  I  I7  4  0.0000  0.3395  0.9982  1.0
  I  I8  4  0.0000  0.4993  0.7828  1.0
]