data_[K8Sn4Te12]
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 [13.7305]
_cell_length_b [9.0769]
_cell_length_c [8.1732]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2SnTe3]
_chemical_formula_sum '[K8 Sn4 Te12]'
_cell_volume [999.4271]
_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  0.1557  0.3345  0.1522  1.0
  Sn  Sn1  4  0.0000  0.0868  0.7500  1.0
  Te  Te2  8  0.1416  0.0613  0.4810  1.0
  Te  Te3  4  0.0000  0.3862  0.7500  1.0
]