[CIF]
data_Ca2HfNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41576525
_cell_length_b   4.68071999
_cell_length_c   6.11449332
_cell_angle_alpha   90.00000000
_cell_angle_beta   100.43084063
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2HfNi
_chemical_formula_sum   'Ca2 Hf1 Ni1'
_cell_volume   96.14442509
_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  1.13273232  2.34036000  1.38084708  1
  Ca  Ca1  1  1.17601280  2.34036000  4.63259911  1
  Hf  Hf2  1  -0.55351006  0.00000000  3.00672309  1
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
