data_HfReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   130.84
_cell_angle_beta   130.84
_cell_angle_gamma   72.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReNi2
_chemical_formula_sum   'Hf1 Re1 Ni2'
_cell_volume   56.49
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.77  1.0
  Ni  Ni1  1  0.94  0.0  0.88  1.0
  Ni  Ni2  1  0.0  0.94  0.88  1.0

data_HfReNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   126.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfReNi2
_chemical_formula_sum   'Hf2 Re2 Ni4'
_cell_volume   112.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.77  1.0
  Ni  Ni2  4  0.03  0.97  0.95  1.0

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