data_[Cs2Sc2Cd2S6]
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
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9878]
_cell_length_b [4.0099]
_cell_length_c [10.2707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5492]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScCdS3]
_chemical_formula_sum '[Cs2 Sc2 Cd2 S6]'
_cell_volume [341.8565]
_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  0.2315  0.2500  0.2467  1.0
  Sc  Sc1  2  0.3363  0.7500  0.8778  1.0
  Cd  Cd2  2  0.0867  0.2500  0.6192  1.0
  S  S3  2  0.1376  0.2500  0.8748  1.0
  S  S4  2  0.2252  0.7500  0.5601  1.0
  S  S5  2  0.4818  0.7500  0.1380  1.0
]