data_[Hf2Ti4In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9633]
_cell_length_b [8.8410]
_cell_length_c [5.6520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [HfTi2In3]
_chemical_formula_sum '[Hf2 Ti4 In6]'
_cell_volume [248.0099]
_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
[
  Hf  Hf0  2  0.0000  0.0820  0.4142  1.0
  Ti  Ti1  2  0.0000  0.2559  0.9436  1.0
  Ti  Ti2  2  0.5000  0.4180  0.1577  1.0
  In  In3  2  0.0000  0.4219  0.4304  1.0
  In  In4  2  0.5000  0.0930  0.1089  1.0
  In  In5  2  0.5000  0.2524  0.6465  1.0
]