data_[K2Zn2Sn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.0500]
_cell_length_b [4.2920]
_cell_length_c [10.3826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5273]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KZnSnTe3]
_chemical_formula_sum '[K2 Zn2 Sn2 Te6]'
_cell_volume [429.3457]
_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  0.1930  0.2500  0.2422  1.0
  Zn  Zn1  2  0.0781  0.2500  0.6038  1.0
  Sn  Sn2  2  0.3405  0.7500  0.8750  1.0
  Te  Te3  2  0.1211  0.2500  0.8708  1.0
  Te  Te4  2  0.2026  0.7500  0.5286  1.0
  Te  Te5  2  0.4597  0.7500  0.1719  1.0
]