data_Na2VRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2VRe
_chemical_formula_sum   'Na2 V1 Re1'
_cell_volume   78.08
_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
  Na  Na0  1  0.54  0.0  0.25  1.0
  Na  Na1  1  0.0  0.0  0.6  1.0
  V  V3  1  0.0  0.0  0.06  1.0
  Re  Re2  1  0.54  0.0  0.86  1.0

data_Na2VRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   10.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2VRe
_chemical_formula_sum   'Na2 V1 Re1'
_cell_volume   78.08
_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
  Na  Na0  1  0.0  0.0  0.6  1.0
  Na  Na1  1  0.54  0.0  0.25  1.0
  V  V2  1  0.0  0.0  0.06  1.0
  Re  Re3  1  0.54  0.0  0.86  1.0

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