data_[Mg4Sc2Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.6160]
_cell_length_b [11.4175]
_cell_length_c [4.2415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg2ScAu8]
_chemical_formula_sum '[Mg4 Sc2 Au16]'
_cell_volume [417.2507]
_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  0.3742  0.0000  1
  Sc  Sc1  2  0.0000  0.0000  0.5000  1
  Au  Au2  8  0.1731  0.1313  0.0000  1
  Au  Au3  4  0.0000  0.2422  0.5000  1
  Au  Au4  4  0.1630  0.5000  0.5000  1
]