data_[Hf4In4Cu20]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.0235]
_cell_length_b [4.8592]
_cell_length_c [10.5537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HfInCu5]
_chemical_formula_sum '[Hf4 In4 Cu20]'
_cell_volume [411.4601]
_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  4  0.2420  0.7500  0.5670  1
  In  In1  4  0.1339  0.7500  0.8609  1
  Cu  Cu2  8  0.0686  0.0025  0.3132  1
  Cu  Cu3  4  0.0491  0.7500  0.0969  1
  Cu  Cu4  4  0.0859  0.2500  0.5166  1
  Cu  Cu5  4  0.1893  0.2500  0.7352  1
]