data_[K4Ba2Sn2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.6104]
_cell_length_b [8.6104]
_cell_length_c [8.4999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [K2BaSnTe4]
_chemical_formula_sum '[K4 Ba2 Sn2 Te8]'
_cell_volume [630.1775]
_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
  Ba  Ba1  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  8  0.1894  0.8106  0.1905  1.0
]