data_Ti2BeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.29
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeP
_chemical_formula_sum   'Ti2 Be1 P1'
_cell_volume   53.82
_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  0.55  0.65  0.93  1.0
  Ti  Ti3  1  0.55  0.65  0.34  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.0  0.63  1.0

data_Ti2BeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.29
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2BeP
_chemical_formula_sum   'Ti2 Be1 P1'
_cell_volume   53.82
_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  0.55  0.65  0.34  1.0
  Ti  Ti1  1  0.55  0.65  0.93  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.63  1.0

Ti Ti Be P
Ti Ti Be P 0 2 o + + 0 2 + + + 0 1 o o + 0 3 + + o 1 2 o + o 1 2 + + o 1 3 o + o 1 3 + + o 2 3 o o - 
BeTi2P crystallizes in the triclinic P1 space group. Be(1) is bonded in a 1-coordinate geometry to four equivalent Ti(1) and one P(1) atom. There are a spread of Be(1)-Ti(1) bond distances ranging from 1.85-2.75 Å. The Be(1)-P(1) bond length is 1.93 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 9-coordinate geometry to four equivalent Be(1), one Ti(2), and four equivalent P(1) atoms. The Ti(1)-Ti(2) bond length is 2.14 Å. There are a spread of Ti(1)-P(1) bond distances ranging from 2.40-3.15 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Ti(1) and two equivalent P(1) atoms. There is one shorter (2.40 Å) and one longer (2.59 Å) Ti(2)-P(1) bond length. P(1) is bonded in a 1-coordinate geometry to one Be(1), two equivalent Ti(2), and four equivalent Ti(1) atoms.