data_Na4Ti3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4Ti3
_chemical_formula_sum   'Na4 Ti3'
_cell_volume   172.46
_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
  Na  Na1  1  0.0  0.0  0.59  1.0
  Na  Na2  1  0.0  0.17  0.0  1.0
  Na  Na3  1  0.75  0.59  0.0  1.0
  Ti  Ti4  1  0.37  0.38  0.3  1.0
  Ti  Ti5  1  0.75  0.0  0.3  1.0
  Ti  Ti6  1  0.63  0.38  0.3  1.0

data_Na4Ti3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4Ti3
_chemical_formula_sum   'Na4 Ti3'
_cell_volume   172.46
_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
  Na  Na1  1  0.0  0.0  0.59  1.0
  Na  Na2  1  0.0  0.17  0.0  1.0
  Na  Na3  1  0.75  0.59  0.0  1.0
  Ti  Ti4  1  0.37  0.38  0.3  1.0
  Ti  Ti5  1  0.63  0.38  0.3  1.0
  Ti  Ti6  1  0.75  0.0  0.3  1.0

Na Na Na Na Ti Ti Ti