data_[Mg4Mn2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4790]
_cell_length_b [6.6878]
_cell_length_c [13.3541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg2MnAu8]
_chemical_formula_sum '[Mg4 Mn2 Au16]'
_cell_volume [400.0217]
_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
[
  Mg  Mg0  4  0.0000  0.5000  0.1968  1
  Mn  Mn1  2  0.0000  0.5000  0.5000  1
  Au  Au2  8  0.0000  0.2158  0.3588  1
  Au  Au3  4  0.0000  0.0000  0.1659  1
  Au  Au4  4  0.0000  0.2821  0.0000  1
]