data_[Rb28P4S24]
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 [P2_13]
_cell_length_a [12.5106]
_cell_length_b [12.5106]
_cell_length_c [12.5106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Rb7PS6]
_chemical_formula_sum '[Rb28 P4 S24]'
_cell_volume [1958.0877]
_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  12  0.0294  0.2767  0.0387  1
  Rb  Rb1  12  0.0691  0.7882  0.0836  1
  Rb  Rb2  4  0.1399  0.3601  0.6399  1
  P  P3  4  0.1926  0.6926  0.8074  1
  S  S4  12  0.0955  0.7942  0.7198  1
  S  S5  4  0.0267  0.0267  0.0267  1
  S  S6  4  0.0963  0.5963  0.9037  1
  S  S7  4  0.1881  0.8119  0.3119  1
]