data_KNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNi
_chemical_formula_sum   'K4 Ni4'
_cell_volume   211.04
_cell_formula_units_Z   4
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  0.56  0.54  0.39  1.0
  K  K1  1  0.41  0.41  0.41  1.0
  K  K2  1  0.39  0.56  0.54  1.0
  K  K3  1  0.54  0.39  0.56  1.0
  Ni  Ni4  1  0.33  0.3  0.63  1.0
  Ni  Ni5  1  0.65  0.65  0.65  1.0
  Ni  Ni6  1  0.63  0.33  0.3  1.0
  Ni  Ni7  1  0.3  0.63  0.33  1.0

data_KNi
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.42
_cell_length_b   8.42
_cell_length_c   10.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   KNi
_chemical_formula_sum   'K12 Ni12'
_cell_volume   633.11
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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  9  0.04  0.93  0.5  1.0
  K  K1  3  0.0  0.0  0.41  1.0
  Ni  Ni2  9  0.21  0.12  0.42  1.0
  Ni  Ni3  3  0.0  0.0  0.65  1.0

K K K K Ni Ni Ni Ni