data_[Hf20Cu4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.8016]
_cell_length_b [13.7802]
_cell_length_c [11.9997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf5CuSn2]
_chemical_formula_sum '[Hf20 Cu4 Sn8]'
_cell_volume [793.9788]
_cell_formula_units_Z [4]
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  0.0000  0.1074  0.1199  1
  Hf  Hf1  8  0.0000  0.3102  0.0135  1
  Hf  Hf2  4  0.0000  0.3043  0.7500  1
  Cu  Cu3  4  0.0000  0.2963  0.2500  1
  Sn  Sn4  8  0.0000  0.1078  0.6285  1
]