data_[Cs4Sc4Cd4Te12]
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 [Pnma]
_cell_length_a [17.1626]
_cell_length_b [4.4266]
_cell_length_c [11.7384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsScCdTe3]
_chemical_formula_sum '[Cs4 Sc4 Cd4 Te12]'
_cell_volume [891.7961]
_cell_formula_units_Z [4]
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  0.2360  0.2500  0.0492  1
  Sc  Sc1  4  0.0211  0.2500  0.3547  1
  Cd  Cd2  4  0.0188  0.7500  0.0996  1
  Te  Te3  4  0.0847  0.2500  0.5800  1
  Te  Te4  4  0.0861  0.7500  0.8673  1
  Te  Te5  4  0.1283  0.7500  0.2761  1
]