data_[K3V5S10]
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 [5.8483]
_cell_length_b [8.6730]
_cell_length_c [8.9938]
_cell_angle_alpha [107.3940]
_cell_angle_beta [108.9247]
_cell_angle_gamma [103.0329]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K3(VS2)5]
_chemical_formula_sum '[K3 V5 S10]'
_cell_volume [384.6255]
_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  0.0516  0.5075  0.8035  1.0
  K  K1  1  0.2652  0.5023  0.1959  1.0
  K  K2  1  0.8599  0.4981  0.4010  1.0
  V  V3  1  0.2109  0.9991  0.4263  1.0
  V  V4  1  0.3940  0.0037  0.7847  1.0
  V  V5  1  0.6031  0.0011  0.1783  1.0
  V  V6  1  0.8109  0.0022  0.6071  1.0
  V  V7  1  0.9868  0.0020  0.0017  1.0
  S  S8  1  0.0403  0.1810  0.2810  1.0
  S  S9  1  0.1794  0.8311  0.1382  1.0
  S  S10  1  0.2413  0.1929  0.6795  1.0
  S  S11  1  0.3751  0.8115  0.5300  1.0
  S  S12  1  0.4268  0.1810  0.0659  1.0
  S  S13  1  0.5653  0.8148  0.9190  1.0
  S  S14  1  0.6289  0.1722  0.4675  1.0
  S  S15  1  0.7744  0.8227  0.3277  1.0
  S  S16  1  0.8303  0.1855  0.8742  1.0
  S  S17  1  0.9721  0.8214  0.7304  1.0
]