data_[Cs2As2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0736]
_cell_length_b [7.0506]
_cell_length_c [7.1681]
_cell_angle_alpha [64.9334]
_cell_angle_beta [71.1530]
_cell_angle_gamma [78.5147]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsAsS]
_chemical_formula_sum '[Cs2 As2 S2]'
_cell_volume [219.2308]
_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  1  0.4334  0.5396  0.9137  1.0
  Cs  Cs1  1  0.7519  0.1842  0.5319  1.0
  As  As2  1  0.0571  0.0346  0.0233  1.0
  As  As3  1  0.3362  0.8609  0.2962  1.0
  S  S4  1  0.1693  0.5507  0.5048  1.0
  S  S5  1  0.7833  0.7928  0.0753  1.0
]