data_[K12Zn2Sn4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3032]
_cell_length_b [6.2661]
_cell_length_c [10.7493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K6ZnSn2]
_chemical_formula_sum '[K12 Zn2 Sn4]'
_cell_volume [746.0319]
_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  0.0421  0.5000  0.7251  1.0
  K  K1  4  0.1787  0.0000  0.5796  1.0
  K  K2  4  0.2066  0.5000  0.0737  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Sn  Sn4  4  0.1236  0.0000  0.2372  1.0
]