data_HfVRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   138.21
_cell_angle_beta   138.21
_cell_angle_gamma   60.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVRe2
_chemical_formula_sum   'Hf1 V1 Re2'
_cell_volume   64.98
_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  0.89  0.0  0.28  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.57  1.0
  Re  Re2  1  0.0  0.89  0.28  1.0

data_HfVRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.29
_cell_angle_alpha   110.89
_cell_angle_beta   110.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVRe2
_chemical_formula_sum   'Hf1 V1 Re2'
_cell_volume   64.98
_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  0.72  0.0  0.6  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.43  0.0  0.43  1.0
  Re  Re3  1  0.6  0.89  0.6  1.0

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