data_[Mn8Au4I24]
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 [15.7752]
_cell_length_b [14.0537]
_cell_length_c [7.5524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2AuI6]
_chemical_formula_sum '[Mn8 Au4 I24]'
_cell_volume [1546.1562]
_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  0.2041  0.4099  0.8221  1.0
  Au  Au1  4  0.0000  0.2031  0.7500  1.0
  I  I2  8  0.1167  0.1062  0.0879  1.0
  I  I3  8  0.1225  0.2608  0.5997  1.0
  I  I4  8  0.1471  0.4277  0.1178  1.0
]