data_[Hf16Ga2Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9391]
_cell_length_b [12.5109]
_cell_length_c [4.7337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf8GaCu2]
_chemical_formula_sum '[Hf16 Ga2 Cu4]'
_cell_volume [447.8390]
_cell_formula_units_Z [2]
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  0.1988  0.1188  0.0898  1
  Hf  Hf1  4  0.0000  0.2338  0.5000  1
  Hf  Hf2  4  0.1113  0.5000  0.3138  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Cu  Cu4  4  0.0000  0.3119  0.0000  1
]