data_KLiNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   138.42
_cell_angle_beta   138.42
_cell_angle_gamma   60.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiNi2
_chemical_formula_sum   'K1 Li1 Ni2'
_cell_volume   67.8
_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  0.65  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.91  0.33  1.0
  Ni  Ni3  1  0.91  0.0  0.33  1.0

data_KLiNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   120.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KLiNi2
_chemical_formula_sum   'K2 Li2 Ni4'
_cell_volume   135.6
_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  0.65  1.0
  Li  Li1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  4  0.05  0.05  0.42  1.0

K Li Ni Ni