data_NaAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlV2
_chemical_formula_sum   'Na1 Al1 V2'
_cell_volume   66.89
_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  0.0  0.0  0.0  1.0
  Al  Al0  1  0.0  0.0  0.83  1.0
  V  V2  1  0.81  0.0  0.85  1.0
  V  V3  1  0.81  0.0  0.81  1.0

data_NaAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   9.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaAlV2
_chemical_formula_sum   'Na1 Al1 V2'
_cell_volume   66.89
_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  0.0  1.0
  Al  Al1  1  0.0  0.0  0.83  1.0
  V  V2  1  0.81  0.0  0.81  1.0
  V  V3  1  0.81  0.0  0.85  1.0

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