data_NaAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.15
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlV2
_chemical_formula_sum   'Na1 Al1 V2'
_cell_volume   71.27
_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  Na1  1  0.32  0.0  0.55  1.0
  Al  Al0  1  0.88  0.57  0.24  1.0
  V  V2  1  0.02  0.57  0.58  1.0
  V  V3  1  0.44  0.0  0.69  1.0

data_NaAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.15
_cell_length_c   7.38
_cell_angle_alpha   90.0
_cell_angle_beta   92.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlV2
_chemical_formula_sum   'Na1 Al1 V2'
_cell_volume   71.27
_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  0.32  0.0  0.55  1.0
  Al  Al1  1  0.88  0.57  0.24  1.0
  V  V2  1  0.02  0.57  0.58  1.0
  V  V3  1  0.44  0.0  0.69  1.0

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