data_[Cs4B4S10]
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 [C2/m]
_cell_length_a [13.2927]
_cell_length_b [4.7260]
_cell_length_c [8.2458]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2B2S5]
_chemical_formula_sum '[Cs4 B4 S10]'
_cell_volume [516.9886]
_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  4  0.1040  0.5000  0.3115  1
  B  B1  4  0.1187  0.0000  0.8805  1
  S  S2  4  0.1157  0.0000  0.6702  1
  S  S3  4  0.2341  0.0000  0.0251  1
  S  S4  2  0.0000  0.0000  0.0000  1
]