data_[K4In6Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0240]
_cell_length_b [4.9049]
_cell_length_c [7.9998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7852]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2In3Sn2]
_chemical_formula_sum '[K4 In6 Sn4]'
_cell_volume [456.2002]
_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  0.1502  0.0000  0.7930  1.0
  In  In1  4  0.0909  0.5000  0.4336  1.0
  In  In2  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn3  4  0.1549  0.0000  0.2704  1.0
]