data_[Au4S4I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5687]
_cell_length_b [7.4892]
_cell_length_c [6.7367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4883]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuSI]
_chemical_formula_sum '[Au4 S4 I4]'
_cell_volume [366.1582]
_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
[
  Au  Au0  4  0.4643  0.1231  0.2194  1.0
  S  S1  4  0.3659  0.6499  0.5341  1.0
  I  I2  4  0.1815  0.0687  0.3836  1.0
]