data_Na2TiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   4.92
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiP
_chemical_formula_sum   'Na2 Ti1 P1'
_cell_volume   78.58
_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  0.56  0.46  0.91  1.0
  Na  Na1  1  0.56  0.46  0.22  1.0
  Ti  Ti3  1  0.0  0.0  0.57  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Na2TiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.92
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2TiP
_chemical_formula_sum   'Na2 Ti1 P1'
_cell_volume   78.58
_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  0.56  0.46  0.22  1.0
  Na  Na1  1  0.56  0.46  0.91  1.0
  Ti  Ti2  1  0.0  0.0  0.57  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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