data_K2LiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   133.83
_cell_angle_beta   126.71
_cell_angle_gamma   73.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiNi
_chemical_formula_sum   'K2 Li1 Ni1'
_cell_volume   135.11
_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  0.43  0.0  0.58  1.0
  K  K1  1  0.0  0.78  0.41  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.99  1.0

data_K2LiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   5.57
_cell_length_c   6.21
_cell_angle_alpha   116.64
_cell_angle_beta   113.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiNi
_chemical_formula_sum   'K2 Li1 Ni1'
_cell_volume   135.11
_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  0.59  0.38  0.38  1.0
  K  K1  1  0.86  0.42  0.86  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.01  0.01  0.01  1.0

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