data_LiHfCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfCo
_chemical_formula_sum   'Li1 Hf1 Co1'
_cell_volume   53.7
_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
  Li  Li2  1  0.0  0.0  0.3  1.0
  Hf  Hf1  1  0.6  0.92  0.65  1.0
  Co  Co0  1  1.0  0.85  0.09  1.0

data_LiHfCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.2
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfCo
_chemical_formula_sum   'Li1 Hf1 Co1'
_cell_volume   53.7
_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
  Li  Li0  1  0.0  0.0  0.3  1.0
  Hf  Hf1  1  0.6  0.92  0.65  1.0
  Co  Co2  1  1.0  0.85  0.09  1.0

Li Hf Co
Li Hf Co 0 2 - - o 0 1 o o o 0 1 o - o 0 1 - - o 1 2 - o + 1 2 o o + 1 1 + + o 1 1 o + o 1 1 + o o 