data_[Hf14Nb4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5396]
_cell_length_b [8.5876]
_cell_length_c [7.7824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf7(NbSn)2]
_chemical_formula_sum '[Hf14 Nb4 Sn4]'
_cell_volume [481.9944]
_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  8  0.2216  0.3149  0.1804  1.0
  Hf  Hf1  4  0.1515  0.0000  0.4140  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  Nb  Nb3  4  0.1057  0.5000  0.8367  1.0
  Sn  Sn4  4  0.0000  0.3058  0.5000  1.0
]