data_LiHfIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23
_cell_length_b   7.97
_cell_length_c   3.05
_cell_angle_alpha   83.88
_cell_angle_beta   74.47
_cell_angle_gamma   21.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHfIn
_chemical_formula_sum   'Li1 Hf1 In1'
_cell_volume   65.21
_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  0.61  0.59  0.12  1.0
  Hf  Hf0  1  0.61  0.59  0.01  1.0
  In  In1  1  0.61  0.59  0.49  1.0

data_LiHfIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.22
_cell_length_b   15.62
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   121.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiHfIn
_chemical_formula_sum   'Li2 Hf2 In2'
_cell_volume   130.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.11  0.5  0.73  1.0
  Hf  Hf1  2  0.11  0.5  0.62  1.0
  In  In2  2  0.11  0.5  0.1  1.0

Li Hf In