data_[Hf14In10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3349]
_cell_length_b [4.2962]
_cell_length_c [10.4730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7In5]
_chemical_formula_sum '[Hf14 In10]'
_cell_volume [535.8228]
_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  0.0852  0.5000  0.2428  1.0
  Hf  Hf1  4  0.0854  0.0000  0.7467  1.0
  Hf  Hf2  4  0.1619  0.5000  0.9902  1.0
  Hf  Hf3  2  0.0000  0.5000  0.5000  1.0
  In  In4  4  0.1633  0.0000  0.4878  1.0
  In  In5  4  0.2488  0.0000  0.2342  1.0
  In  In6  2  0.0000  0.0000  0.0000  1.0
]