data_[Hf6Zr9Cu6]
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 [R3m]
_cell_length_a [4.7751]
_cell_length_b [4.7751]
_cell_length_c [20.5215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Hf2Zr3Cu2]
_chemical_formula_sum '[Hf6 Zr9 Cu6]'
_cell_volume [405.2364]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2314  1
  Hf  Hf1  3  0.0000  0.0000  0.8119  1
  Zr  Zr2  3  0.0000  0.0000  0.0809  1
  Zr  Zr3  3  0.0000  0.0000  0.3843  1
  Zr  Zr4  3  0.0000  0.0000  0.6535  1
  Cu  Cu5  3  0.0000  0.0000  0.5150  1
  Cu  Cu6  3  0.0000  0.0000  0.9480  1
]