data_[Rb4Al4P4S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  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 [13.1646]
_cell_length_b [3.9597]
_cell_length_c [8.3378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Al2P2S]
_chemical_formula_sum '[Rb4 Al4 P4 S2]'
_cell_volume [372.3424]
_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  4  0.0701  0.5000  0.3515  1
  Al  Al1  4  0.1909  0.0000  0.0584  1
  P  P2  4  0.2004  0.0000  0.7759  1
  S  S3  2  0.0000  0.0000  0.0000  1
]