data_[Mn4Al2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3992]
_cell_length_b [4.2779]
_cell_length_c [6.5663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2AlAu8]
_chemical_formula_sum '[Mn4 Al2 Au16]'
_cell_volume [382.5735]
_cell_formula_units_Z [2]
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  0.2188  0.0000  0.6458  1.0
  Al  Al1  2  0.0000  0.5000  0.0000  1.0
  Au  Au2  4  0.0394  0.0000  0.7359  1.0
  Au  Au3  4  0.0990  0.5000  0.4417  1.0
  Au  Au4  4  0.1501  0.0000  0.2003  1.0
  Au  Au5  4  0.1740  0.5000  0.9108  1.0
]