data_[K4Ni4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.0962]
_cell_length_b [4.4452]
_cell_length_c [12.3481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KNiSn3]
_chemical_formula_sum '[K4 Ni4 Sn12]'
_cell_volume [499.2922]
_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  4  0.1676  0.2500  0.9955  1.0
  Ni  Ni1  4  0.0740  0.2500  0.6466  1.0
  Sn  Sn2  4  0.0687  0.2500  0.4239  1.0
  Sn  Sn3  4  0.1242  0.7500  0.7772  1.0
  Sn  Sn4  4  0.1395  0.7500  0.2105  1.0
]