data_[K4Sn2Te6]
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 [P-1]
_cell_length_a [7.3175]
_cell_length_b [8.0744]
_cell_length_c [9.6446]
_cell_angle_alpha [76.5006]
_cell_angle_beta [77.2030]
_cell_angle_gamma [68.4951]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K2SnTe3]
_chemical_formula_sum '[K4 Sn2 Te6]'
_cell_volume [509.6796]
_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  2  0.1383  0.4859  0.6736  1.0
  K  K1  2  0.3562  0.7941  0.9197  1.0
  Sn  Sn2  2  0.1561  0.9393  0.3156  1.0
  Te  Te3  2  0.1488  0.2052  0.0784  1.0
  Te  Te4  2  0.2401  0.0419  0.5561  1.0
  Te  Te5  2  0.3499  0.5838  0.2919  1.0
]