data_[Hf2Nb6Sn2]
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 [P2_1/m]
_cell_length_a [5.4749]
_cell_length_b [5.6375]
_cell_length_c [6.7676]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfNb3Sn]
_chemical_formula_sum '[Hf2 Nb6 Sn2]'
_cell_volume [208.8786]
_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  2  0.3729  0.2500  0.3666  1
  Nb  Nb1  4  0.1088  0.5036  0.8198  1
  Nb  Nb2  2  0.1223  0.7500  0.4814  1
  Sn  Sn3  2  0.4184  0.7500  0.1296  1
]