data_NaTi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.98
_cell_angle_alpha   111.37
_cell_angle_beta   111.37
_cell_angle_gamma   35.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2P
_chemical_formula_sum   'Na1 Ti2 P1'
_cell_volume   75.82
_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
  Ti  Ti2  1  0.66  0.0  0.07  1.0
  Ti  Ti3  1  0.55  0.0  0.53  1.0
  P  P1  1  0.11  0.0  0.3  1.0

data_NaTi2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.98
_cell_length_c   5.31
_cell_angle_alpha   111.37
_cell_angle_beta   107.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaTi2P
_chemical_formula_sum   'Na1 Ti2 P1'
_cell_volume   75.82
_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
  Ti  Ti1  1  0.0  0.07  0.66  1.0
  Ti  Ti2  1  0.0  0.53  0.55  1.0
  P  P3  1  0.0  0.3  0.11  1.0

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