data_Ti2NbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   4.38
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   94.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbP
_chemical_formula_sum   'Ti2 Nb1 P1'
_cell_volume   63.64
_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  0.34  0.19  0.15  1.0
  Ti  Ti3  1  0.4  0.19  0.58  1.0
  Nb  Nb0  1  0.37  0.0  0.36  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Ti2NbP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.38
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   94.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2NbP
_chemical_formula_sum   'Ti2 Nb1 P1'
_cell_volume   63.64
_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  0.34  0.19  0.15  1.0
  Ti  Ti1  1  0.4  0.19  0.58  1.0
  Nb  Nb2  1  0.37  0.0  0.36  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ti Ti Nb P
Ti Ti Nb P 0 3 o o o 0 2 o o o 1 2 o o o 