data_[Mg8Au16S32O128]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [14.4430]
_cell_length_b [16.2880]
_cell_length_c [10.2600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [MgAu2(SO4)4]
_chemical_formula_sum '[Mg8 Au16 S32 O128]'
_cell_volume [2413.6464]
_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
[
  Mg  Mg0  8  0.0000  0.0000  0.8615  1
  Au  Au1  16  0.0936  0.1235  0.4140  1
  S  S2  16  0.0565  0.1283  0.1210  1
  S  S3  16  0.1133  0.3819  0.9617  1
  O  O4  16  0.0301  0.3197  0.6403  1
  O  O5  16  0.0314  0.3221  0.9389  1
  O  O6  16  0.0509  0.0748  0.0091  1
  O  O7  16  0.0574  0.0792  0.7343  1
  O  O8  16  0.0653  0.0709  0.2380  1
  O  O9  16  0.0933  0.4446  0.0557  1
  O  O10  16  0.1188  0.4370  0.3681  1
  O  O11  16  0.1243  0.1787  0.5829  1
]