data_[Cs2Sc2Si2Te8]
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
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9570]
_cell_length_b [7.6342]
_cell_length_c [10.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScSiTe4]
_chemical_formula_sum '[Cs2 Sc2 Si2 Te8]'
_cell_volume [520.9185]
_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  0.2281  0.2500  0.0495  1
  Sc  Sc1  2  0.2205  0.2500  0.5461  1
  Si  Si2  2  0.2181  0.7500  0.3467  1
  Te  Te3  4  0.0288  0.5068  0.6896  1
  Te  Te4  2  0.4227  0.7500  0.1900  1
  Te  Te5  2  0.4692  0.7500  0.5829  1
]