data_KNaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.7
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaNi2
_chemical_formula_sum   'K1 Na1 Ni2'
_cell_volume   72.58
_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  0.51  0.35  0.0  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.35  0.55  1.0
  Ni  Ni3  1  0.51  0.0  0.55  1.0

data_KNaNi2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.7
_cell_length_b   3.03
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KNaNi2
_chemical_formula_sum   'K1 Na1 Ni2'
_cell_volume   72.58
_cell_formula_units_Z   1
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  1  0.35  0.0  0.0  1.0
  Na  Na1  1  0.0  0.5  0.0  1.0
  Ni  Ni2  1  0.0  0.0  0.55  1.0
  Ni  Ni3  1  0.35  0.5  0.55  1.0

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