data_VRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   148.28
_cell_angle_beta   60.94
_cell_angle_gamma   129.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRe3
_chemical_formula_sum   'V1 Re3'
_cell_volume   59.77
_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
  V  V3  1  0.0  0.0  0.64  1.0
  Re  Re0  1  0.45  0.55  0.17  1.0
  Re  Re1  1  0.45  0.45  0.17  1.0
  Re  Re2  1  0.0  0.56  0.56  1.0

data_VRe3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.52
_cell_length_c   5.3
_cell_angle_alpha   115.29
_cell_angle_beta   105.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRe3
_chemical_formula_sum   'V1 Re3'
_cell_volume   59.77
_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
  V  V0  1  0.0  0.36  0.36  1.0
  Re  Re1  1  0.0  0.28  0.83  1.0
  Re  Re2  1  0.1  0.38  0.93  1.0
  Re  Re3  1  0.56  0.01  0.01  1.0

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