data_[K12Sn8Te16]
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 [C2/c]
_cell_length_a [13.6311]
_cell_length_b [12.2863]
_cell_length_c [9.3803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.7740]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3(SnTe2)2]
_chemical_formula_sum '[K12 Sn8 Te16]'
_cell_volume [1559.9987]
_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
[
  K  K0  8  0.1470  0.1195  0.1451  1.0
  K  K1  4  0.0000  0.3725  0.7500  1.0
  Sn  Sn2  8  0.1843  0.3755  0.4081  1.0
  Te  Te3  8  0.1037  0.1699  0.5244  1.0
  Te  Te4  8  0.1612  0.4375  0.0952  1.0
]