data_BaNa2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   6.14
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   93.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Nb
_chemical_formula_sum   'Ba1 Na2 Nb1'
_cell_volume   122.98
_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
  Ba  Ba0  1  0.39  0.0  0.12  1.0
  Na  Na1  1  0.47  0.07  0.88  1.0
  Na  Na2  1  0.31  0.07  0.36  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

data_BaNa2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   6.14
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   93.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNa2Nb
_chemical_formula_sum   'Ba1 Na2 Nb1'
_cell_volume   122.98
_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
  Ba  Ba0  1  0.39  0.0  0.12  1.0
  Na  Na1  1  0.31  0.07  0.36  1.0
  Na  Na2  1  0.47  0.07  0.88  1.0
  Nb  Nb3  1  0.0  0.0  0.0  1.0

Ba Na Na Nb
Ba Na Na Nb 0 3 o o o 0 2 o o o 0 1 o o - 1 3 o o + 1 3 + o + 