data_Hf2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   145.85
_cell_angle_beta   129.91
_cell_angle_gamma   62.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VRe
_chemical_formula_sum   'Hf2 V1 Re1'
_cell_volume   71.63
_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  0.34  0.68  1.0
  Hf  Hf1  1  0.0  0.0  0.52  1.0
  V  V3  1  0.0  0.0  0.85  1.0
  Re  Re2  1  0.0  0.34  0.14  1.0

data_Hf2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.67
_cell_length_c   5.52
_cell_angle_alpha   115.05
_cell_angle_beta   107.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VRe
_chemical_formula_sum   'Hf2 V1 Re1'
_cell_volume   71.63
_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  0.32  0.66  0.66  1.0
  Hf  Hf1  1  0.48  0.48  0.48  1.0
  V  V2  1  0.15  0.15  0.15  1.0
  Re  Re3  1  0.86  0.2  0.2  1.0

Hf Hf V Re
Hf Hf V Re 0 1 o o o 2 3 o o + 