data_NaTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   2.93
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi
_chemical_formula_sum   'Na2 Ti2'
_cell_volume   93.91
_cell_formula_units_Z   2
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  0.47  0.0  0.11  1.0
  Na  Na1  1  0.0  0.47  0.82  1.0
  Ti  Ti2  1  0.47  0.0  0.91  1.0
  Ti  Ti3  1  0.0  0.47  0.01  1.0

data_NaTi
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   10.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   NaTi
_chemical_formula_sum   'Na4 Ti4'
_cell_volume   187.82
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.23  0.5  0.64  1.0
  Ti  Ti1  4  0.23  0.5  0.45  1.0

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