data_[K1V3Sn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.3822]
_cell_length_b [5.3822]
_cell_length_c [9.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [KV3Sn5]
_chemical_formula_sum '[K1 V3 Sn5]'
_cell_volume [227.0125]
_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  0.0000  1
  V  V1  3  0.0000  0.5000  0.5000  1
  Sn  Sn2  4  0.3333  0.6667  0.2351  1
  Sn  Sn3  1  0.0000  0.0000  0.5000  1
]