data_KHf2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.76
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ga
_chemical_formula_sum   'K1 Hf2 Ga1'
_cell_volume   113.15
_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  K3  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.94  0.38  0.05  1.0
  Hf  Hf2  1  0.6  0.38  0.66  1.0
  Ga  Ga0  1  0.77  0.0  0.85  1.0

data_KHf2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.76
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   101.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KHf2Ga
_chemical_formula_sum   'K1 Hf2 Ga1'
_cell_volume   113.15
_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  0.0  1.0
  Hf  Hf1  1  0.6  0.38  0.66  1.0
  Hf  Hf2  1  0.94  0.38  0.05  1.0
  Ga  Ga3  1  0.77  0.0  0.85  1.0

K Hf Hf Ga
K Hf Hf Ga 0 3 - o - 0 1 - o o 2 3 o o o 