data_VRe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRe2Si
_chemical_formula_sum   'V1 Re2 Si1'
_cell_volume   56.21
_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  0.4  0.4  0.21  1.0
  Re  Re0  1  0.0  0.0  0.07  1.0
  Re  Re1  1  0.4  0.4  0.89  1.0
  Si  Si2  1  0.0  0.0  0.55  1.0

data_VRe2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VRe2Si
_chemical_formula_sum   'V2 Re4 Si2'
_cell_volume   112.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.0  0.21  1.0
  Re  Re1  2  0.0  0.0  0.07  1.0
  Si  Si2  2  0.0  0.0  0.55  1.0
  Re  Re3  2  0.4  0.0  0.89  1.0

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