data_[Hf1Mg3Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0160]
_cell_length_b [5.0160]
_cell_length_c [7.9963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfMg3Cu8]
_chemical_formula_sum '[Hf1 Mg3 Cu8]'
_cell_volume [174.2360]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.5656  1
  Mg  Mg1  1  0.0000  0.0000  0.9462  1
  Mg  Mg2  1  0.6667  0.3333  0.0578  1
  Mg  Mg3  1  0.6667  0.3333  0.4313  1
  Cu  Cu4  3  0.1644  0.3287  0.2524  1
  Cu  Cu5  3  0.5034  0.0068  0.7479  1
  Cu  Cu6  1  0.3333  0.6667  0.5006  1
  Cu  Cu7  1  0.3333  0.6667  0.9975  1
]