data_TiCu2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   138.01
_cell_angle_beta   138.01
_cell_angle_gamma   60.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCu2P
_chemical_formula_sum   'Ti1 Cu2 P1'
_cell_volume   53.43
_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  0.26  1.0
  Cu  Cu0  1  0.0  0.77  0.13  1.0
  Cu  Cu1  1  0.77  0.0  0.13  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TiCu2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   120.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiCu2P
_chemical_formula_sum   'Ti2 Cu4 P2'
_cell_volume   106.87
_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  0.24  0.5  0.74  1.0
  Cu  Cu1  4  0.25  0.61  0.64  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Ti Cu Cu P
TiCu2P crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiCu2P clusters. Ti(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cu(1) and one P(1) atom. Both Ti(1)-Cu(1) bond lengths are 0.78 Å. The Ti(1)-P(1) bond length is 1.29 Å. Cu(1) is bonded in a single-bond geometry to one Ti(1) atom. P(1) is bonded in a single-bond geometry to one Ti(1) atom.