data_[Hf4Ti6In4]
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 [C2/m]
_cell_length_a [11.3870]
_cell_length_b [3.4696]
_cell_length_c [7.3274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Ti3In2]
_chemical_formula_sum '[Hf4 Ti6 In4]'
_cell_volume [281.5148]
_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  0.0819  0.5000  0.7240  1.0
  Ti  Ti1  4  0.2095  0.5000  0.1154  1.0
  Ti  Ti2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.1453  0.0000  0.4069  1.0
]