data_[Na28Te4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5657]
_cell_length_b [15.2814]
_cell_length_c [26.0502]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na7TeI5]
_chemical_formula_sum '[Na28 Te4 I20]'
_cell_volume [1817.5266]
_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
[
  Na  Na0  4  0.0000  0.0766  0.7492  1
  Na  Na1  4  0.0000  0.1279  0.4618  1
  Na  Na2  4  0.0000  0.1362  0.0386  1
  Na  Na3  4  0.0000  0.2988  0.6866  1
  Na  Na4  4  0.0000  0.3099  0.8177  1
  Na  Na5  4  0.0000  0.3897  0.3707  1
  Na  Na6  4  0.0000  0.4132  0.1141  1
  Te  Te7  4  0.0000  0.2917  0.2550  1
  I  I8  4  0.0000  0.0383  0.3480  1
  I  I9  4  0.0000  0.0473  0.1540  1
  I  I10  4  0.0000  0.2221  0.5761  1
  I  I11  4  0.0000  0.2303  0.9273  1
  I  I12  4  0.0000  0.4960  0.5010  1
]