data_Hf2ZrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   19.26
_cell_angle_beta   19.26
_cell_angle_gamma   19.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrRe
_chemical_formula_sum   'Hf2 Zr1 Re1'
_cell_volume   82.54
_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  0.35  1.0
  Hf  Hf1  1  0.0  0.0  0.72  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.04  1.0

data_Hf2ZrRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   3.19
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   101.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2ZrRe
_chemical_formula_sum   'Hf4 Zr2 Re2'
_cell_volume   165.07
_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  0.28  1.0
  Hf  Hf1  2  0.0  0.0  0.65  1.0
  Zr  Zr2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  0.0  0.0  0.96  1.0

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