data_[K2Nb2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nb  1.6000  1.4500  0.8200
  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 [8.5263]
_cell_length_b [3.6076]
_cell_length_c [9.1407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KNbCuS3]
_chemical_formula_sum '[K2 Nb2 Cu2 S6]'
_cell_volume [258.6692]
_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  0.2132  0.7500  0.2520  1.0
  Nb  Nb1  2  0.3276  0.2500  0.8451  1.0
  Cu  Cu2  2  0.0852  0.7500  0.6091  1.0
  S  S3  2  0.1292  0.7500  0.8684  1.0
  S  S4  2  0.2213  0.2500  0.5500  1.0
  S  S5  2  0.4598  0.2500  0.1479  1.0
]