data_TiCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCrP2
_chemical_formula_sum   'Ti1 Cr1 P2'
_cell_volume   52.51
_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  0.43  1.0
  Cr  Cr0  1  0.58  0.58  0.18  1.0
  P  P1  1  0.0  0.0  0.05  1.0
  P  P2  1  0.58  0.58  0.45  1.0

data_TiCrP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCrP2
_chemical_formula_sum   'Ti2 Cr2 P4'
_cell_volume   105.03
_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  0.0  0.0  0.43  1.0
  Cr  Cr1  2  0.08  0.5  0.18  1.0
  P  P2  2  0.0  0.0  0.05  1.0
  P  P3  2  0.08  0.5  0.45  1.0

Ti Cr P P
TiCrP2 crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a 4-coordinate geometry to two equivalent P(1) and four equivalent P(2) atoms. There is one shorter (1.99 Å) and one longer (3.25 Å) Ti(1)-P(1) bond length. There are a spread of Ti(1)-P(2) bond distances ranging from 1.87-2.61 Å. Cr(1) is bonded in a 1-coordinate geometry to one P(2) and four equivalent P(1) atoms. The Cr(1)-P(2) bond length is 1.44 Å. There are a spread of Cr(1)-P(1) bond distances ranging from 1.99-2.70 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Ti(1) and four equivalent Cr(1) atoms. In the second P site, P(2) is bonded in a 5-coordinate geometry to four equivalent Ti(1) and one Cr(1) atom.