data_[Cs2B2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [5.0186]
_cell_length_b [7.3523]
_cell_length_c [8.5180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CsBS2]
_chemical_formula_sum '[Cs2 B2 S4]'
_cell_volume [304.3824]
_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
[
  Cs  Cs0  2  0.4087  0.9854  0.7826  1.0
  B  B1  2  0.1047  0.9655  0.2442  1.0
  S  S2  2  0.0472  0.1323  0.1052  1.0
  S  S3  2  0.1589  0.7964  0.3808  1.0
]