data_[K8V4S14]
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 [C2/m]
_cell_length_a [12.4664]
_cell_length_b [7.2440]
_cell_length_c [8.6784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K4V2S7]
_chemical_formula_sum '[K8 V4 S14]'
_cell_volume [756.2276]
_cell_formula_units_Z [2]
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  0.1635  0.5000  0.7256  1
  K  K1  2  0.0000  0.0000  0.0000  1
  K  K2  2  0.0000  0.0000  0.5000  1
  V  V3  4  0.1463  0.5000  0.2120  1
  S  S4  8  0.1326  0.2606  0.3461  1
  S  S5  4  0.1995  0.0000  0.8518  1
  S  S6  2  0.0000  0.5000  0.0000  1
]