data_KNbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.39
_cell_length_b   6.39
_cell_length_c   6.39
_cell_angle_alpha   139.28
_cell_angle_beta   139.28
_cell_angle_gamma   58.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbTe2
_chemical_formula_sum   'K1 Nb1 Te2'
_cell_volume   109.75
_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  0.22  0.0  0.78  1.0
  Te  Te2  1  0.0  0.0  0.56  1.0
  Te  Te3  1  0.0  0.22  0.78  1.0

data_KNbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   6.39
_cell_angle_alpha   110.36
_cell_angle_beta   110.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbTe2
_chemical_formula_sum   'K1 Nb1 Te2'
_cell_volume   109.75
_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  0.78  0.56  0.56  1.0
  Te  Te2  1  0.56  0.78  0.56  1.0
  Te  Te3  1  0.56  0.56  0.56  1.0

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