data_Ba2NaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.5
_cell_length_b   7.5
_cell_length_c   7.5
_cell_angle_alpha   150.12
_cell_angle_beta   131.22
_cell_angle_gamma   58.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaTi
_chemical_formula_sum   'Ba2 Na1 Ti1'
_cell_volume   157.01
_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  0.0  0.0  0.47  1.0
  Ba  Ba1  1  0.0  0.1  0.18  1.0
  Na  Na2  1  0.0  0.0  0.06  1.0
  Ti  Ti3  1  0.93  0.0  0.4  1.0

data_Ba2NaTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   6.2
_cell_length_c   7.5
_cell_angle_alpha   114.39
_cell_angle_beta   104.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NaTi
_chemical_formula_sum   'Ba2 Na1 Ti1'
_cell_volume   157.01
_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  0.53  0.53  0.53  1.0
  Ba  Ba1  1  0.82  0.92  0.92  1.0
  Na  Na2  1  0.94  0.94  0.94  1.0
  Ti  Ti3  1  0.53  0.6  0.53  1.0

Ba Ba Na Ti
Ba Ba Na Ti 0 3 - o o 1 2 o o o 