data_[Hf4Zr4Ga8Cu8]
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
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.4435]
_cell_length_b [4.2206]
_cell_length_c [12.6629]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [HfZr(GaCu)2]
_chemical_formula_sum '[Hf4 Zr4 Ga8 Cu8]'
_cell_volume [425.4661]
_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  1  0.0628  0.0000  0.6254  1
  Hf  Hf1  1  0.3122  0.0000  0.1246  1
  Hf  Hf2  1  0.8126  0.0000  0.1250  1
  Hf  Hf3  1  0.9378  0.5000  0.8754  1
  Zr  Zr4  1  0.1874  0.5000  0.3747  1
  Zr  Zr5  1  0.4373  0.5000  0.8749  1
  Zr  Zr6  1  0.5623  0.0000  0.6249  1
  Zr  Zr7  1  0.6874  0.5000  0.3750  1
  Ga  Ga8  1  0.0620  0.5000  0.1239  1
  Ga  Ga9  1  0.1863  0.0000  0.8751  1
  Ga  Ga10  1  0.3115  0.5000  0.6255  1
  Ga  Ga11  1  0.4372  0.0000  0.3743  1
  Ga  Ga12  1  0.5625  0.5000  0.1249  1
  Ga  Ga13  1  0.6893  0.0000  0.8760  1
  Ga  Ga14  1  0.8140  0.5000  0.6257  1
  Ga  Ga15  1  0.9372  0.0000  0.3745  1
  Cu  Cu16  1  0.0001  0.0000  0.0001  1
  Cu  Cu17  1  0.1232  0.5000  0.7497  1
  Cu  Cu18  1  0.2486  0.0000  0.5007  1
  Cu  Cu19  1  0.3740  0.5000  0.2482  1
  Cu  Cu20  1  0.5006  0.0000  0.0014  1
  Cu  Cu21  1  0.6272  0.5000  0.7510  1
  Cu  Cu22  1  0.7521  0.0000  0.5008  1
  Cu  Cu23  1  0.8743  0.5000  0.2483  1
]