data_[Hf14Ti2In8]
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 [10.4925]
_cell_length_b [4.9449]
_cell_length_c [11.5259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0206]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7TiIn4]
_chemical_formula_sum '[Hf14 Ti2 In8]'
_cell_volume [561.8798]
_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  0.0038  0.0000  0.3705  1
  Hf  Hf1  4  0.1602  0.5000  0.5306  1
  Hf  Hf2  4  0.2134  0.0000  0.9238  1
  Hf  Hf3  2  0.0000  0.5000  0.0000  1
  Ti  Ti4  2  0.0000  0.0000  0.0000  1
  In  In5  4  0.1340  0.5000  0.7842  1
  In  In6  4  0.1776  0.5000  0.2838  1
]