data_[Mn4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.6904]
_cell_length_b [15.9614]
_cell_length_c [6.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn(AuI3)2]
_chemical_formula_sum '[Mn4 Au8 I24]'
_cell_volume [1558.5146]
_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  4  0.0000  0.0709  0.2500  1.0
  Au  Au1  8  0.1083  0.4992  0.2993  1.0
  I  I2  8  0.1044  0.0550  0.9871  1.0
  I  I3  8  0.1194  0.3777  0.0533  1.0
  I  I4  8  0.1196  0.1822  0.4409  1.0
]