data_KNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.85
_cell_angle_alpha   103.44
_cell_angle_beta   103.44
_cell_angle_gamma   31.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi
_chemical_formula_sum   'K3 Ni3'
_cell_volume   124.11
_cell_formula_units_Z   3
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  0.98  0.0  0.35  1.0
  K  K1  1  0.7  0.0  0.11  1.0
  K  K2  1  0.92  0.0  0.72  1.0
  Ni  Ni3  1  0.23  0.0  0.05  1.0
  Ni  Ni4  1  0.24  0.0  0.41  1.0
  Ni  Ni5  1  0.08  0.0  0.76  1.0

data_KNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   6.0
_cell_length_c   6.85
_cell_angle_alpha   103.44
_cell_angle_beta   90.0
_cell_angle_gamma   105.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi
_chemical_formula_sum   'K3 Ni3'
_cell_volume   124.11
_cell_formula_units_Z   3
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  0.02  0.65  1.0
  K  K1  1  0.0  0.08  0.28  1.0
  K  K2  1  0.0  0.3  0.89  1.0
  Ni  Ni3  1  0.0  0.76  0.59  1.0
  Ni  Ni4  1  0.0  0.77  0.95  1.0
  Ni  Ni5  1  0.0  0.92  0.24  1.0

K K K Ni Ni Ni