data_[Cs2Sc2Cd2Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9392]
_cell_length_b [4.4381]
_cell_length_c [11.1557]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsScCdTe3]
_chemical_formula_sum '[Cs2 Sc2 Cd2 Te6]'
_cell_volume [455.2321]
_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  0.2218  0.2500  0.2506  1.0
  Sc  Sc1  2  0.3337  0.7500  0.8697  1.0
  Cd  Cd2  2  0.0798  0.2500  0.6114  1.0
  Te  Te3  2  0.1301  0.2500  0.8750  1.0
  Te  Te4  2  0.2345  0.7500  0.5597  1.0
  Te  Te5  2  0.4756  0.7500  0.1470  1.0
]