data_[Hf8Ti2In4]
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 [P2_1/m]
_cell_length_a [7.5634]
_cell_length_b [6.0129]
_cell_length_c [7.6677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf4TiIn2]
_chemical_formula_sum '[Hf8 Ti2 In4]'
_cell_volume [306.1376]
_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  4  0.3525  0.5012  0.7669  1
  Hf  Hf1  2  0.2212  0.2500  0.0673  1
  Hf  Hf2  2  0.4973  0.2500  0.5048  1
  Ti  Ti3  2  0.0805  0.7500  0.3442  1
  In  In4  2  0.0604  0.2500  0.3721  1
  In  In5  2  0.2356  0.7500  0.0569  1
]