data_[Na4Mn8Tl4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.2397]
_cell_length_b [14.6974]
_cell_length_c [7.9137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaMn2TlI6]
_chemical_formula_sum '[Na4 Mn8 Tl4 I24]'
_cell_volume [1743.0470]
_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  0.2803  0.2500  1.0
  Mn  Mn1  8  0.1967  0.4178  0.7855  1.0
  Tl  Tl2  4  0.0000  0.0984  0.7500  1.0
  I  I3  8  0.1249  0.2722  0.6147  1.0
  I  I4  8  0.1250  0.0983  0.1671  1.0
  I  I5  8  0.1413  0.4274  0.0996  1.0
]