data_[Rb4P4Au4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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/m]
_cell_length_a [12.7364]
_cell_length_b [7.1064]
_cell_length_c [8.0042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7604]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbPAuS3]
_chemical_formula_sum '[Rb4 P4 Au4 S12]'
_cell_volume [668.0430]
_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
[
  Rb  Rb0  4  0.2052  0.5000  0.7309  1.0
  P  P1  4  0.0281  0.0000  0.6542  1.0
  Au  Au2  4  0.0000  0.2439  0.0000  1.0
  S  S3  8  0.0537  0.2431  0.3123  1.0
  S  S4  4  0.1965  0.0000  0.7774  1.0
]