data_TiInP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   137.42
_cell_angle_beta   119.5
_cell_angle_gamma   76.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInP2
_chemical_formula_sum   'Ti1 In1 P2'
_cell_volume   69.65
_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  Ti3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.88  1.0
  P  P1  1  0.8  0.0  0.84  1.0
  P  P2  1  0.0  0.49  0.04  1.0

data_TiInP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.5
_cell_angle_beta   68.71
_cell_angle_gamma   68.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInP2
_chemical_formula_sum   'Ti1 In1 P2'
_cell_volume   69.65
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.88  1.0
  P  P2  1  0.0  0.2  0.84  1.0
  P  P3  1  0.49  0.0  0.55  1.0

Ti In P P