data_[Rb12P4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3722]
_cell_length_b [11.0709]
_cell_length_c [9.3785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Rb3PS4]
_chemical_formula_sum '[Rb12 P4 S16]'
_cell_volume [973.1084]
_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  8  0.0410  0.0415  0.2942  1
  Rb  Rb1  4  0.1548  0.7500  0.0893  1
  P  P2  4  0.2237  0.7500  0.5192  1
  S  S3  8  0.1712  0.0961  0.9550  1
  S  S4  4  0.0217  0.7500  0.4304  1
  S  S5  4  0.2095  0.7500  0.7384  1
]