data_SrHfNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   149.93
_cell_angle_beta   132.72
_cell_angle_gamma   57.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfNi2
_chemical_formula_sum   'Sr1 Hf1 Ni2'
_cell_volume   76.37
_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  0.1  1.0
  Hf  Hf0  1  0.0  0.38  0.98  1.0
  Ni  Ni1  1  0.0  0.0  0.15  1.0
  Ni  Ni2  1  0.54  0.0  0.21  1.0

data_SrHfNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.76
_cell_length_c   5.93
_cell_angle_alpha   113.64
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrHfNi2
_chemical_formula_sum   'Sr1 Hf1 Ni2'
_cell_volume   76.37
_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  0.9  0.9  0.9  1.0
  Hf  Hf1  1  0.02  0.4  0.4  1.0
  Ni  Ni2  1  0.33  0.79  0.33  1.0
  Ni  Ni3  1  0.85  0.85  0.85  1.0

Sr Hf Ni Ni
Sr Hf Ni Ni 0 2 o o o 0 1 o - - 0 1 o o - 0 3 o o o 0 3 - o o 1 3 - o o 1 3 - + + 1 3 o o + 1 2 o + + 1 2 o o o 1 2 o o + 1 1 o + + 2 3 o o o 2 3 - o o 3 3 o + + 