data_[K2V2Cu6S8]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5363]
_cell_length_b [7.3236]
_cell_length_c [9.4392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7717]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KVCu3S4]
_chemical_formula_sum '[K2 V2 Cu6 S8]'
_cell_volume [366.4369]
_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  2  0.1767  0.7500  0.3789  1
  V  V1  2  0.3567  0.2500  0.2194  1
  Cu  Cu2  4  0.2700  0.5104  0.9950  1
  Cu  Cu3  2  0.1418  0.7500  0.7716  1
  S  S4  4  0.4069  0.0024  0.7805  1
  S  S5  2  0.0252  0.2500  0.0075  1
  S  S6  2  0.2214  0.2500  0.4158  1
]