data_NaYTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYTi
_chemical_formula_sum   'Na1 Y1 Ti1'
_cell_volume   76.74
_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  0.63  1.0
  Y  Y2  1  0.69  0.55  0.01  1.0
  Ti  Ti1  1  0.0  0.1  0.42  1.0

data_NaYTi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.38
_cell_length_c   5.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYTi
_chemical_formula_sum   'Na1 Y1 Ti1'
_cell_volume   76.74
_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  0.63  0.0  0.0  1.0
  Y  Y1  1  0.01  0.69  0.55  1.0
  Ti  Ti2  1  0.42  0.0  0.1  1.0

Na Y Ti