data_[Mo8Au8F48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Au  2.5400  1.3500  1.0700
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ia-3]
_cell_length_a [9.3399]
_cell_length_b [9.3399]
_cell_length_c [9.3399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [206]
_chemical_formula_structural [MoAuF6]
_chemical_formula_sum '[Mo8 Au8 F48]'
_cell_volume [814.7566]
_cell_formula_units_Z [8]
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
[
  Mo  Mo0  8  0.2500  0.2500  0.2500  1
  Au  Au1  8  0.0000  0.0000  0.0000  1
  F  F2  48  0.0882  0.1375  0.3066  1
]