data_[P4Au4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.5175]
_cell_length_b [6.3055]
_cell_length_c [8.9008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [P2Au2S7]
_chemical_formula_sum '[P4 Au4 S14]'
_cell_volume [512.6714]
_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
[
  P  P0  4  0.0873  0.0071  0.7021  1
  Au  Au1  4  0.2128  0.5222  0.7658  1
  S  S2  4  0.0479  0.7886  0.2453  1
  S  S3  4  0.1335  0.2269  0.8782  1
  S  S4  4  0.2406  0.3471  0.3386  1
  S  S5  2  0.0000  0.2040  0.5000  1
]