[CIF]
data_CaHf2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20846770
_cell_length_b   5.20846770
_cell_length_c   3.27304678
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHf2
_chemical_formula_sum   'Ca1 Hf2'
_cell_volume   76.89583097
_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
  Ca  Ca0  1  0.00000000  0.00000000  0.00000000  1
  Hf  Hf1  1  0.00000000  3.00711023  1.63652339  1
  Hf  Hf2  1  2.60423385  1.50355511  1.63652339  1
[/CIF]
