data_[Hf4Zr4Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7191]
_cell_length_b [3.1971]
_cell_length_c [6.4025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9264]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZrCu]
_chemical_formula_sum '[Hf4 Zr4 Cu4]'
_cell_volume [230.6763]
_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  0.1551  0.5000  0.8295  1.0
  Zr  Zr1  4  0.1556  0.5000  0.3261  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
]