data_LiHf2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   4.11
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Sn
_chemical_formula_sum   'Li1 Hf2 Sn1'
_cell_volume   84.8
_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
  Li  Li2  1  0.0  0.0  0.27  1.0
  Hf  Hf0  1  0.0  0.0  0.01  1.0
  Hf  Hf1  1  0.63  0.05  0.56  1.0
  Sn  Sn3  1  0.63  0.05  0.69  1.0

data_LiHf2Sn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.11
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHf2Sn
_chemical_formula_sum   'Li1 Hf2 Sn1'
_cell_volume   84.8
_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
  Li  Li0  1  0.0  0.0  0.27  1.0
  Hf  Hf1  1  0.0  0.0  0.01  1.0
  Hf  Hf2  1  0.63  0.05  0.56  1.0
  Sn  Sn3  1  0.63  0.05  0.69  1.0

Li Hf Hf Sn
Li Hf Hf Sn 0 1 o o o 2 3 o o o 