data_[Mn8Tl4Ag4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [15.4156]
_cell_length_b [14.7907]
_cell_length_c [8.2961]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4979]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2TlAgI6]
_chemical_formula_sum '[Mn8 Tl4 Ag4 I24]'
_cell_volume [1771.7977]
_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  0.1888  0.4274  0.2055  1.0
  Tl  Tl1  4  0.0000  0.1239  0.2500  1.0
  Ag  Ag2  4  0.0000  0.2130  0.7500  1.0
  I  I3  8  0.1239  0.0709  0.6793  1.0
  I  I4  8  0.1285  0.4331  0.4807  1.0
  I  I5  8  0.1285  0.2632  0.0710  1.0
]