data_[Rb2Al1B1S1]
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
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.3724]
_cell_length_b [6.3724]
_cell_length_c [3.9890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Rb2AlBS]
_chemical_formula_sum '[Rb2 Al1 B1 S1]'
_cell_volume [161.9825]
_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  0.0000  0.5000  0.0000  1
  Al  Al1  1  0.0000  0.0000  0.5000  1
  B  B2  1  0.0000  0.0000  0.0000  1
  S  S3  1  0.5000  0.5000  0.5000  1
]