data_[Cs2Sc2Ag2Te6]
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
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0952]
_cell_length_b [4.2377]
_cell_length_c [11.1258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScAgTe3]
_chemical_formula_sum '[Cs2 Sc2 Ag2 Te6]'
_cell_volume [427.6206]
_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  0.2190  0.7500  0.2554  1.0
  Sc  Sc1  2  0.3261  0.2500  0.8529  1.0
  Ag  Ag2  2  0.0737  0.7500  0.6020  1.0
  Te  Te3  2  0.1373  0.7500  0.8732  1.0
  Te  Te4  2  0.2398  0.2500  0.5637  1.0
  Te  Te5  2  0.4675  0.2500  0.1471  1.0
]