data_[Y4Hf4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6701]
_cell_length_b [3.4170]
_cell_length_c [8.4321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.9465]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YHfCu]
_chemical_formula_sum '[Y4 Hf4 Cu4]'
_cell_volume [260.8735]
_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
[
  Y  Y0  4  0.0706  0.5000  0.3322  1.0
  Hf  Hf1  4  0.1600  0.0000  0.0548  1.0
  Cu  Cu2  4  0.1445  0.0000  0.6649  1.0
]