data_[Al2Au2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.0096]
_cell_length_b [3.5816]
_cell_length_c [6.1837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [AlAuS2]
_chemical_formula_sum '[Al2 Au2 S4]'
_cell_volume [153.9972]
_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
[
  Al  Al0  2  0.5000  0.2309  0.2500  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  S  S2  4  0.3143  0.2470  0.5529  1.0
]