data_[Li2Hf2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.0385]
_cell_length_b [3.1481]
_cell_length_c [8.1226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2944]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [LiHfIn]
_chemical_formula_sum '[Li2 Hf2 In2]'
_cell_volume [124.8475]
_cell_formula_units_Z [2]
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  0.2050  0.5000  0.1620  1
  Li  Li1  1  0.6923  0.0000  0.1794  1
  Hf  Hf2  1  0.1009  0.0000  0.8037  1
  Hf  Hf3  1  0.4859  0.0000  0.5407  1
  In  In4  1  0.6355  0.5000  0.8886  1
  In  In5  1  0.9560  0.5000  0.4578  1
]