data_[K4Y4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2449]
_cell_length_b [4.5487]
_cell_length_c [25.8426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [KYSn]
_chemical_formula_sum '[K4 Y4 Sn4]'
_cell_volume [498.9892]
_cell_formula_units_Z [4]
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  0.0000  0.0000  0.1198  1
  K  K1  2  0.0000  0.0000  0.7603  1
  Y  Y2  2  0.0000  0.0000  0.3862  1
  Y  Y3  2  0.0000  0.5000  0.9936  1
  Sn  Sn4  2  0.0000  0.0000  0.8964  1
  Sn  Sn5  2  0.0000  0.5000  0.4926  1
]