data_[K12V4S12]
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 [P2_1/c]
_cell_length_a [8.5677]
_cell_length_b [7.7726]
_cell_length_c [12.5435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9743]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [K3VS3]
_chemical_formula_sum '[K12 V4 S12]'
_cell_volume [825.0879]
_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  0.0865  0.6409  0.6342  1
  K  K1  4  0.3131  0.2330  0.2911  1
  K  K2  4  0.3966  0.7373  0.4213  1
  V  V3  4  0.1515  0.0703  0.5434  1
  S  S4  4  0.0726  0.5531  0.8774  1
  S  S5  4  0.2403  0.1575  0.0226  1
  S  S6  4  0.3509  0.5701  0.1482  1
]