data_Ti2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   5.83
_cell_length_c   2.98
_cell_angle_alpha   79.59
_cell_angle_beta   71.41
_cell_angle_gamma   29.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2P
_chemical_formula_sum   'Ti2 P1'
_cell_volume   47.1
_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
  Ti  Ti1  1  0.77  0.4  0.21  1.0
  Ti  Ti2  1  0.77  0.4  0.89  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Ti2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   5.83
_cell_angle_alpha   100.41
_cell_angle_beta   100.41
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2P
_chemical_formula_sum   'Ti2 P1'
_cell_volume   47.1
_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
  Ti  Ti0  1  0.21  0.23  0.83  1.0
  Ti  Ti1  1  0.89  0.23  0.83  1.0
  P  P2  1  0.0  0.0  0.0  1.0

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