data_SrHfNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   124.33
_cell_angle_beta   116.54
_cell_angle_gamma   89.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfNi2
_chemical_formula_sum   'Sr1 Hf1 Ni2'
_cell_volume   77.43
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.0  0.0  0.42  1.0
  Ni  Ni1  1  0.24  0.0  0.92  1.0
  Ni  Ni2  1  0.0  0.53  0.49  1.0

data_SrHfNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   63.46
_cell_angle_beta   62.16
_cell_angle_gamma   62.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfNi2
_chemical_formula_sum   'Sr1 Hf1 Ni2'
_cell_volume   77.43
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  -0.0  0.42  1.0
  Ni  Ni2  1  0.0  0.76  0.92  1.0
  Ni  Ni3  1  0.53  -0.0  0.97  1.0

Sr Hf Ni Ni