data_HfVRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.8
_cell_angle_alpha   100.98
_cell_angle_beta   100.98
_cell_angle_gamma   115.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVRe2
_chemical_formula_sum   'Hf1 V1 Re2'
_cell_volume   63.33
_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  0.75  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.87  0.8  0.31  1.0
  Re  Re2  1  0.87  0.2  0.31  1.0

data_HfVRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   115.95
_cell_angle_beta   100.98
_cell_angle_gamma   100.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVRe2
_chemical_formula_sum   'Hf1 V1 Re2'
_cell_volume   63.33
_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  0.75  0.0  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.31  0.87  0.2  1.0
  Re  Re3  1  0.31  0.87  0.8  1.0

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