data_[K2V1S5]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1983]
_cell_length_b [6.2614]
_cell_length_c [7.8461]
_cell_angle_alpha [68.2667]
_cell_angle_beta [72.1244]
_cell_angle_gamma [89.7031]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2VS5]
_chemical_formula_sum '[K2 V1 S5]'
_cell_volume [224.0687]
_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  0.3829  0.3849  0.2545  1.0
  K  K1  1  0.6768  0.7154  0.6578  1.0
  V  V2  1  0.0086  0.9126  0.9946  1.0
  S  S3  1  0.0112  0.5858  0.9716  1.0
  S  S4  1  0.1800  0.8897  0.2297  1.0
  S  S5  1  0.3597  0.1882  0.7443  1.0
  S  S6  1  0.6225  0.9124  0.2221  1.0
  S  S7  1  0.9811  0.1879  0.7024  1.0
]