data_[Hf8Ni48Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.4561]
_cell_length_b [10.5502]
_cell_length_c [10.5484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [HfNi6Sn]
_chemical_formula_sum '[Hf8 Ni48 Sn8]'
_cell_volume [829.7676]
_cell_formula_units_Z [8]
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  0.0000  0.2529  0.0000  1
  Hf  Hf1  4  0.0000  0.5000  0.2489  1
  Ni  Ni2  16  0.2493  0.3742  0.1246  1
  Ni  Ni3  16  0.2496  0.1238  0.3747  1
  Ni  Ni4  8  0.0000  0.2516  0.2491  1
  Ni  Ni5  2  0.0000  0.0000  0.0000  1
  Ni  Ni6  2  0.0000  0.0000  0.5000  1
  Ni  Ni7  2  0.0000  0.5000  0.0000  1
  Ni  Ni8  2  0.0000  0.5000  0.5000  1
  Sn  Sn9  4  0.0000  0.0000  0.2486  1
  Sn  Sn10  4  0.0000  0.2529  0.5000  1
]