data_KNb(CuSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   10.03
_cell_length_c   10.03
_cell_angle_alpha   146.83
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb(CuSe2)2
_chemical_formula_sum   'K2 Nb2 Cu4 Se8'
_cell_volume   429.17
_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  1  0.85  0.47  0.24  1.0
  K  K1  1  0.95  0.53  0.24  1.0
  Nb  Nb2  1  0.95  0.9  0.86  1.0
  Nb  Nb3  1  0.85  0.1  0.86  1.0
  Cu  Cu4  1  0.95  0.57  0.86  1.0
  Cu  Cu5  1  0.85  0.43  0.86  1.0
  Cu  Cu6  1  0.9  0.0  0.77  1.0
  Cu  Cu7  1  0.0  0.0  0.77  1.0
  Se  Se8  1  0.95  0.94  0.27  1.0
  Se  Se9  1  0.85  0.05  0.44  1.0
  Se  Se10  1  0.85  0.05  0.31  1.0
  Se  Se11  1  0.85  0.06  0.27  1.0
  Se  Se12  1  0.95  0.95  0.31  1.0
  Se  Se13  1  0.04  0.05  0.44  1.0
  Se  Se14  1  0.75  0.95  0.44  1.0
  Se  Se15  1  0.94  0.95  0.44  1.0

data_KNb(CuSe2)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.73
_cell_length_b   7.79
_cell_length_c   10.03
_cell_angle_alpha   90.0
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb(CuSe2)2
_chemical_formula_sum   'K2 Nb2 Cu4 Se8'
_cell_volume   429.17
_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  1  0.24  0.05  0.7  1.0
  K  K1  1  0.24  0.15  0.77  1.0
  Nb  Nb2  1  0.86  0.05  0.96  1.0
  Nb  Nb3  1  0.86  0.15  0.77  1.0
  Cu  Cu4  1  0.77  0.0  0.77  1.0
  Cu  Cu5  1  0.77  0.1  0.77  1.0
  Cu  Cu6  1  0.86  0.05  0.3  1.0
  Cu  Cu7  1  0.86  0.15  0.43  1.0
  Se  Se8  1  0.27  0.05  0.33  1.0
  Se  Se9  1  0.27  0.15  0.22  1.0
  Se  Se10  1  0.31  0.05  0.36  1.0
  Se  Se11  1  0.31  0.15  0.25  1.0
  Se  Se12  1  0.44  0.06  0.49  1.0
  Se  Se13  1  0.44  0.15  0.38  1.0
  Se  Se14  1  0.44  0.25  0.49  1.0
  Se  Se15  1  0.44  0.96  0.38  1.0

K K Nb Nb Cu Cu Cu Cu Se Se Se Se Se Se Se Se