data_KNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   4.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   45.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi2
_chemical_formula_sum   'K2 Ni4'
_cell_volume   114.44
_cell_formula_units_Z   2
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  0.68  0.24  0.05  1.0
  K  K1  1  0.68  0.76  0.14  1.0
  Ni  Ni2  1  0.4  0.39  0.05  1.0
  Ni  Ni3  1  0.97  0.61  0.14  1.0
  Ni  Ni4  1  0.97  0.39  0.05  1.0
  Ni  Ni5  1  0.4  0.61  0.14  1.0

data_KNi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.19
_cell_length_b   4.81
_cell_length_c   6.17
_cell_angle_alpha   112.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KNi2
_chemical_formula_sum   'K2 Ni4'
_cell_volume   114.44
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.45  0.24  0.24  1.0
  Ni  Ni1  2  0.45  0.39  0.1  1.0
  Ni  Ni2  2  0.45  0.39  0.68  1.0

K K Ni Ni Ni Ni
K K Ni Ni Ni Ni 0 2 o o o 0 5 o o o 1 3 o o o 1 4 o o o 2 5 o o o 3 4 o o o 