data_[Cs4Sc2Zn4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9527]
_cell_length_b [3.8643]
_cell_length_c [8.2911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sc(ZnS2)2]
_chemical_formula_sum '[Cs4 Sc2 Zn4 S8]'
_cell_volume [473.4895]
_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  0.1301  0.0000  0.5645  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1757  0.5000  0.0195  1
  S  S3  4  0.0285  0.5000  0.8056  1
  S  S4  4  0.1753  0.0000  0.1883  1
]