data_KNbNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   7.22
_cell_angle_alpha   94.84
_cell_angle_beta   94.84
_cell_angle_gamma   36.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbNi2
_chemical_formula_sum   'K1 Nb1 Ni2'
_cell_volume   82.93
_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  0.84  0.0  0.59  1.0
  Ni  Ni2  1  0.11  0.0  0.56  1.0
  Ni  Ni3  1  0.56  0.0  0.62  1.0

data_KNbNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   4.38
_cell_length_c   7.22
_cell_angle_alpha   94.84
_cell_angle_beta   90.0
_cell_angle_gamma   108.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNbNi2
_chemical_formula_sum   'K1 Nb1 Ni2'
_cell_volume   82.93
_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  0.16  0.41  1.0
  Ni  Ni2  1  0.0  0.44  0.38  1.0
  Ni  Ni3  1  0.0  0.89  0.44  1.0

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