data_[Rb5P2S12]
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 [P-1]
_cell_length_a [8.1684]
_cell_length_b [8.9333]
_cell_length_c [10.3157]
_cell_angle_alpha [67.4036]
_cell_angle_beta [69.0110]
_cell_angle_gamma [65.4605]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb5(PS6)2]
_chemical_formula_sum '[Rb5 P2 S12]'
_cell_volume [614.2572]
_cell_formula_units_Z [1]
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  2  0.1940  0.5772  0.5655  1
  Rb  Rb1  2  0.4554  0.2630  0.0045  1
  Rb  Rb2  1  0.5000  0.0000  0.5000  1
  P  P3  2  0.0099  0.0284  0.6911  1
  S  S4  2  0.0039  0.1867  0.8407  1
  S  S5  2  0.1005  0.7714  0.8232  1
  S  S6  2  0.1633  0.5752  0.2376  1
  S  S7  2  0.2593  0.9376  0.2817  1
  S  S8  2  0.2747  0.1697  0.7848  1
  S  S9  2  0.3824  0.6643  0.7624  1
]