data_KNb2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.05
_cell_angle_alpha   103.76
_cell_angle_beta   103.76
_cell_angle_gamma   31.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Te
_chemical_formula_sum   'K1 Nb2 Te1'
_cell_volume   114.27
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.52  0.0  0.64  1.0
  Nb  Nb2  1  0.79  0.0  0.22  1.0
  Te  Te3  1  0.16  0.0  0.93  1.0

data_KNb2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   6.05
_cell_length_c   6.13
_cell_angle_alpha   103.76
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNb2Te
_chemical_formula_sum   'K1 Nb2 Te1'
_cell_volume   114.27
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.22  0.79  1.0
  Nb  Nb2  1  0.0  0.64  0.52  1.0
  Te  Te3  1  0.0  0.93  0.16  1.0

K Nb Nb Te
K Nb Nb Te 0 3 o o - 0 1 - o - 0 2 - o o 1 3 o o o 1 3 + o o 1 1 + - o 1 2 o o o 1 2 o o + 