data_[K16Sn8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [23.2877]
_cell_length_b [8.7388]
_cell_length_c [8.7698]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [K2SnTe3]
_chemical_formula_sum '[K16 Sn8 Te24]'
_cell_volume [1784.6974]
_cell_formula_units_Z [8]
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  8  0.0777  0.0000  0.0000  1
  K  K1  8  0.2344  0.0000  0.0000  1
  Sn  Sn2  8  0.0844  0.0000  0.5000  1
  Te  Te3  16  0.1496  0.1848  0.3148  1
  Te  Te4  8  0.0000  0.1669  0.6667  1
]