data_KNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   45.53
_cell_angle_beta   45.53
_cell_angle_gamma   45.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi
_chemical_formula_sum   'K1 Ni1'
_cell_volume   73.03
_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
  Ni  Ni1  1  0.0  0.0  0.24  1.0

data_KNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24
_cell_length_b   4.18
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   116.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNi
_chemical_formula_sum   'K2 Ni2'
_cell_volume   146.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.24  1.0

K Ni
K Ni 0 1 o o o 