data_Hf2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   2.91
_cell_angle_alpha   100.99
_cell_angle_beta   100.99
_cell_angle_gamma   113.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VRe
_chemical_formula_sum   'Hf2 V1 Re1'
_cell_volume   70.22
_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  0.94  0.22  0.36  1.0
  Hf  Hf1  1  0.94  0.78  0.36  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.9  0.0  0.0  1.0

data_Hf2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   113.77
_cell_angle_beta   100.99
_cell_angle_gamma   100.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2VRe
_chemical_formula_sum   'Hf2 V1 Re1'
_cell_volume   70.22
_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  0.36  0.94  0.22  1.0
  Hf  Hf1  1  0.36  0.94  0.78  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.9  0.0  1.0

Hf Hf V Re