data_Ti2InP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InP
_chemical_formula_sum   'Ti2 In1 P1'
_cell_volume   68.98
_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  Ti2  1  0.84  0.0  0.59  1.0
  Ti  Ti3  1  0.84  0.0  0.25  1.0
  In  In0  1  0.0  0.0  0.92  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Ti2InP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InP
_chemical_formula_sum   'Ti2 In1 P1'
_cell_volume   68.98
_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  0.84  0.0  0.25  1.0
  Ti  Ti1  1  0.84  0.0  0.59  1.0
  In  In2  1  0.0  0.0  0.92  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ti Ti In P