data_Ti2FeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   146.26
_cell_angle_beta   137.58
_cell_angle_gamma   55.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeP
_chemical_formula_sum   'Ti2 Fe1 P1'
_cell_volume   54.79
_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  0.53  0.0  0.02  1.0
  Ti  Ti3  1  0.0  0.0  0.52  1.0
  Fe  Fe0  1  0.0  0.91  0.19  1.0
  P  P1  1  0.0  0.0  0.62  1.0

data_Ti2FeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.82
_cell_length_c   5.28
_cell_angle_alpha   111.21
_cell_angle_beta   106.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2FeP
_chemical_formula_sum   'Ti2 Fe1 P1'
_cell_volume   54.79
_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  0.48  0.48  0.48  1.0
  Ti  Ti1  1  0.52  0.98  0.52  1.0
  Fe  Fe2  1  0.81  0.72  0.72  1.0
  P  P3  1  0.38  0.38  0.38  1.0

Ti Ti Fe P