data_Li2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.13
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VRe
_chemical_formula_sum   'Li2 V1 Re1'
_cell_volume   56.41
_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
  Li  Li0  1  0.42  0.07  0.0  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  V  V3  1  0.42  0.0  0.41  1.0
  Re  Re2  1  0.0  0.07  0.41  1.0

data_Li2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.13
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2VRe
_chemical_formula_sum   'Li2 V1 Re1'
_cell_volume   56.41
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.42  0.07  -0.0  1.0
  V  V2  1  0.42  0.0  0.41  1.0
  Re  Re3  1  -0.0  0.07  0.41  1.0

Li Li V Re
Li Li V Re 0 1 o o o 2 3 o o o 