data_[Mn8Sn4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8651]
_cell_length_b [13.5881]
_cell_length_c [7.8197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2SnI6]
_chemical_formula_sum '[Mn8 Sn4 I24]'
_cell_volume [1547.2345]
_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
[
  Mn  Mn0  8  0.1926  0.4191  0.3194  1.0
  Sn  Sn1  4  0.0000  0.1114  0.2500  1.0
  I  I2  8  0.1214  0.0882  0.6394  1.0
  I  I3  8  0.1271  0.2602  0.1258  1.0
  I  I4  8  0.1315  0.4198  0.6232  1.0
]