[CIF]
data_CaHf4Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85834402
_cell_length_b   5.85834402
_cell_length_c   5.85834402
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf4Au
_chemical_formula_sum   'Ca1 Hf4 Au1'
_cell_volume   142.17054060
_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
  Au  Au0  1  6.21371217  6.21371217  6.21371217  1
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1
  Hf  Hf2  1  5.18024646  5.18024646  3.10470310  1
  Hf  Hf3  1  5.18024646  3.10470310  5.18024646  1
  Hf  Hf4  1  3.10470310  5.18024646  5.18024646  1
  Hf  Hf5  1  3.10470310  3.10470310  3.10470310  1
[/CIF]
