data_KNbCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   6.65
_cell_angle_alpha   101.01
_cell_angle_beta   101.01
_cell_angle_gamma   34.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbCr2
_chemical_formula_sum   'K1 Nb1 Cr2'
_cell_volume   92.11
_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  K2  1  0.22  0.0  0.39  1.0
  Nb  Nb3  1  0.58  0.0  0.68  1.0
  Cr  Cr0  1  0.33  0.0  0.01  1.0
  Cr  Cr1  1  0.76  0.0  0.68  1.0

data_KNbCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   5.0
_cell_length_c   6.65
_cell_angle_alpha   101.01
_cell_angle_beta   90.0
_cell_angle_gamma   107.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbCr2
_chemical_formula_sum   'K1 Nb1 Cr2'
_cell_volume   92.11
_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  0.78  0.61  1.0
  Nb  Nb1  1  0.0  0.42  0.32  1.0
  Cr  Cr2  1  0.0  0.24  0.32  1.0
  Cr  Cr3  1  0.0  0.67  0.99  1.0

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