data_NaV2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.19
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   91.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2In
_chemical_formula_sum   'Na1 V2 In1'
_cell_volume   76.87
_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  0.4  0.0  0.84  1.0
  V  V2  1  0.1  0.59  0.55  1.0
  V  V3  1  0.51  0.0  0.59  1.0
  In  In0  1  0.9  0.59  0.48  1.0

data_NaV2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.19
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   91.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaV2In
_chemical_formula_sum   'Na1 V2 In1'
_cell_volume   76.87
_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  0.4  0.0  0.84  1.0
  V  V1  1  0.1  0.59  0.55  1.0
  V  V2  1  0.51  0.0  0.59  1.0
  In  In3  1  0.9  0.59  0.48  1.0

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