data_Na2TiV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.83
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   92.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiV
_chemical_formula_sum   'Na2 Ti1 V1'
_cell_volume   85.5
_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  0.78  0.0  0.31  1.0
  Na  Na1  1  0.16  0.41  0.77  1.0
  Ti  Ti2  1  0.82  0.0  0.86  1.0
  V  V3  1  0.29  0.41  0.05  1.0

data_Na2TiV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.84
_cell_length_c   10.66
_cell_angle_alpha   92.23
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiV
_chemical_formula_sum   'Na2 Ti1 V1'
_cell_volume   85.5
_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  0.22  0.69  1.0
  Na  Na1  1  0.59  0.84  0.23  1.0
  Ti  Ti2  1  0.0  0.18  0.14  1.0
  V  V3  1  0.59  0.71  0.95  1.0

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