data_HfZnRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.56
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnRe2
_chemical_formula_sum   'Hf1 Zn1 Re2'
_cell_volume   64.81
_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  0.99  0.0  0.6  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.11  0.28  0.94  1.0
  Re  Re2  1  0.88  0.28  0.25  1.0

data_HfZnRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.56
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   98.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZnRe2
_chemical_formula_sum   'Hf1 Zn1 Re2'
_cell_volume   64.81
_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  0.99  0.0  0.6  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.11  0.28  0.94  1.0
  Re  Re3  1  0.88  0.28  0.25  1.0

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