data_NaVIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   6.42
_cell_angle_alpha   96.89
_cell_angle_beta   96.89
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVIn2
_chemical_formula_sum   'Na1 V1 In2'
_cell_volume   93.39
_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  Na2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.41  0.0  0.19  1.0
  In  In0  1  0.73  0.0  0.59  1.0
  In  In1  1  0.09  0.0  0.78  1.0

data_NaVIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.05
_cell_length_c   6.42
_cell_angle_alpha   96.89
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaVIn2
_chemical_formula_sum   'Na1 V1 In2'
_cell_volume   93.39
_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
  V  V1  1  0.0  0.59  0.81  1.0
  In  In2  1  0.0  0.27  0.41  1.0
  In  In3  1  0.0  0.91  0.22  1.0

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