data_[K3V6Ni3S24]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.9251]
_cell_length_b [5.9251]
_cell_length_c [27.5115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KV2NiS8]
_chemical_formula_sum '[K3 V6 Ni3 S24]'
_cell_volume [836.4477]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  V  V1  6  0.0000  0.0000  0.2620  1
  Ni  Ni2  3  0.0000  0.0000  0.0000  1
  S  S3  18  0.0093  0.6956  0.0498  1
  S  S4  6  0.0000  0.0000  0.1847  1
]