data_[K4Sc2Al2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.7754]
_cell_length_b [8.7754]
_cell_length_c [7.1814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [K2ScAlTe4]
_chemical_formula_sum '[K4 Sc2 Al2 Te8]'
_cell_volume [553.0272]
_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
[
  K  K0  4  0.0000  0.5000  0.0000  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.1674  0.1674  0.2665  1.0
]