data_[Mn8Au20]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0721]
_cell_length_b [4.9432]
_cell_length_c [7.5515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn2Au5]
_chemical_formula_sum '[Mn8 Au20]'
_cell_volume [486.9806]
_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  0.0777  0.3114  0.1030  1.0
  Au  Au1  8  0.1309  0.1896  0.4568  1.0
  Au  Au2  8  0.2145  0.3227  0.8215  1.0
  Au  Au3  4  0.0000  0.1992  0.7500  1.0
]