data_Ti2ReP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ReP
_chemical_formula_sum   'Ti2 Re1 P1'
_cell_volume   58.67
_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  0.62  0.62  0.26  1.0
  Ti  Ti3  1  0.62  0.62  0.33  1.0
  Re  Re1  1  0.0  0.0  0.8  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Ti2ReP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2ReP
_chemical_formula_sum   'Ti4 Re2 P2'
_cell_volume   117.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.5  0.26  1.0
  Ti  Ti1  2  0.12  0.5  0.33  1.0
  Re  Re2  2  0.0  0.0  0.8  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ti Ti Re P
Ti2ReP crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti2ReP clusters. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to one Ti(2) and one P(1) atom. The Ti(1)-Ti(2) bond length is 0.42 Å. The Ti(1)-P(1) bond length is 2.27 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one Ti(1) atom. Re(1) is bonded in a single-bond geometry to one P(1) atom. The Re(1)-P(1) bond length is 1.13 Å. P(1) is bonded in a 1-coordinate geometry to one Ti(1) and one Re(1) atom.