data_Li2TiP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiP
_chemical_formula_sum   'Li2 Ti1 P1'
_cell_volume   66.97
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.94  0.0  0.08  1.0
  Ti  Ti3  1  0.94  0.0  0.15  1.0
  P  P2  1  0.0  0.0  0.54  1.0

data_Li2TiP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TiP
_chemical_formula_sum   'Li2 Ti1 P1'
_cell_volume   66.97
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Li  Li1  1  0.94  0.0  0.08  1.0
  Ti  Ti2  1  0.94  0.0  0.15  1.0
  P  P3  1  0.0  0.0  0.54  1.0

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