data_[Rb2B2P4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3941]
_cell_length_b [5.3072]
_cell_length_c [10.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2373]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbB(PS4)2]
_chemical_formula_sum '[Rb2 B2 P4 S16]'
_cell_volume [745.1969]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.5000  1
  B  B1  2  0.0000  0.0000  0.0000  1
  P  P2  4  0.0486  0.5000  0.8061  1
  S  S3  8  0.1032  0.2313  0.9771  1
  S  S4  4  0.0911  0.5000  0.2909  1
  S  S5  4  0.1461  0.5000  0.7088  1
]