data_[K4Si2Sn2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.6730]
_cell_length_b [9.3868]
_cell_length_c [7.0339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2SiSnTe4]
_chemical_formula_sum '[K4 Si2 Sn2 Te8]'
_cell_volume [704.6968]
_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  0.2481  0.6630  0.9428  1.0
  Si  Si1  2  0.0000  0.1493  0.0113  1.0
  Sn  Sn2  2  0.0000  0.8222  0.4744  1.0
  Te  Te3  4  0.2000  0.2832  0.9355  1.0
  Te  Te4  2  0.0000  0.1166  0.3741  1.0
  Te  Te5  2  0.0000  0.8932  0.8834  1.0
]