data_LiHf2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.26
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Ni
_chemical_formula_sum   'Li1 Hf2 Ni1'
_cell_volume   70.05
_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  0.0  1.0
  Hf  Hf0  1  0.16  0.13  0.07  1.0
  Hf  Hf1  1  0.99  0.13  0.5  1.0
  Ni  Ni3  1  0.07  0.0  0.78  1.0

data_LiHf2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.26
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   98.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Ni
_chemical_formula_sum   'Li1 Hf2 Ni1'
_cell_volume   70.05
_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  0.0  1.0
  Hf  Hf1  1  0.16  0.13  0.07  1.0
  Hf  Hf2  1  0.99  0.13  0.5  1.0
  Ni  Ni3  1  0.07  0.0  0.78  1.0

Li Hf Hf Ni