data_[K3Sn4Bi2]
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
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7221]
_cell_length_b [7.5174]
_cell_length_c [10.4723]
_cell_angle_alpha [95.2792]
_cell_angle_beta [99.0698]
_cell_angle_gamma [108.1708]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K3(Sn2Bi)2]
_chemical_formula_sum '[K3 Sn4 Bi2]'
_cell_volume [344.8168]
_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  2  0.2278  0.8552  0.6428  1.0
  K  K1  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn2  2  0.2706  0.5775  0.9312  1.0
  Sn  Sn3  2  0.4547  0.5091  0.3467  1.0
  Bi  Bi4  2  0.0541  0.7485  0.2904  1.0
]