data_[Sc8Zn8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.2209]
_cell_length_b [4.6638]
_cell_length_c [5.7473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc2Zn2Au]
_chemical_formula_sum '[Sc8 Zn8 Au4]'
_cell_volume [371.3060]
_cell_formula_units_Z [4]
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
[
  Sc  Sc0  2  0.1090  0.5000  0.1792  1
  Sc  Sc1  2  0.2009  0.0000  0.6711  1
  Sc  Sc2  2  0.3202  0.5000  0.0255  1
  Sc  Sc3  2  0.4104  0.0000  0.4592  1
  Zn  Zn4  2  0.0009  0.0000  0.8213  1
  Zn  Zn5  2  0.0099  0.0000  0.3286  1
  Zn  Zn6  2  0.3004  0.5000  0.5180  1
  Zn  Zn7  2  0.4125  0.0000  0.9453  1
  Au  Au8  2  0.1032  0.5000  0.6810  1
  Au  Au9  2  0.2258  0.0000  0.1947  1
]