data_LaTi2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTi2P
_chemical_formula_sum   'La1 Ti2 P1'
_cell_volume   72.63
_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
  La  La0  1  0.17  0.17  0.0  1.0
  Ti  Ti2  1  0.0  0.17  0.93  1.0
  Ti  Ti3  1  0.17  0.0  0.93  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_LaTi2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   3.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTi2P
_chemical_formula_sum   'La2 Ti4 P2'
_cell_volume   145.27
_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
  La  La0  2  0.17  0.0  -0.0  1.0
  Ti  Ti1  4  0.08  0.08  0.93  1.0
  P  P2  2  0.0  0.0  0.0  1.0

La Ti Ti P
La Ti Ti P 0 1 o o - 0 2 o o - 1 3 o o + 2 3 o o + 
LaTi2P is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two LaTi2P clusters. La(1) is bonded in a distorted L-shaped geometry to two equivalent Ti(1) atoms. Both La(1)-Ti(1) bond lengths are 0.77 Å. Ti(1) is bonded in an L-shaped geometry to one La(1) and one P(1) atom. The Ti(1)-P(1) bond length is 0.77 Å. P(1) is bonded in a distorted L-shaped geometry to two equivalent Ti(1) atoms.