data_[K2In2Sn1Bi1]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.1727]
_cell_length_b [5.1727]
_cell_length_c [8.3041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2In2SnBi]
_chemical_formula_sum '[K2 In2 Sn1 Bi1]'
_cell_volume [222.1943]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.8318  1
  K  K1  1  0.5000  0.5000  0.1679  1
  In  In2  2  0.0000  0.5000  0.5056  1
  Sn  Sn3  1  0.5000  0.5000  0.7040  1
  Bi  Bi4  1  0.0000  0.0000  0.2850  1
]