data_K2Ti2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   110.6
_cell_angle_beta   110.6
_cell_angle_gamma   107.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Ti2Be
_chemical_formula_sum   'K2 Ti2 Be1'
_cell_volume   160.13
_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
  K  K1  1  0.0  0.37  0.76  1.0
  K  K2  1  0.37  0.0  0.76  1.0
  Ti  Ti3  1  0.0  0.0  0.51  1.0
  Ti  Ti4  1  0.0  0.0  0.52  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_K2Ti2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   9.54
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   126.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2Ti2Be
_chemical_formula_sum   'K4 Ti4 Be2'
_cell_volume   320.26
_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
  K  K0  4  0.31  0.31  0.24  1.0
  Ti  Ti1  2  0.0  0.0  0.48  1.0
  Ti  Ti2  2  0.0  0.0  0.49  1.0
  Be  Be3  2  0.0  0.0  0.0  1.0

K K Ti Ti Be
K2BeTi2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 1-coordinate geometry to two equivalent Be(1) and one Ti(2) atom. There is one shorter (3.04 Å) and one longer (3.47 Å) K(1)-Be(1) bond length. The K(1)-Ti(2) bond length is 2.16 Å. Be(1) is bonded in a 6-coordinate geometry to four equivalent K(1), one Ti(1), and one Ti(2) atom. The Be(1)-Ti(1) bond length is 3.01 Å. The Be(1)-Ti(2) bond length is 2.82 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Be(1) and one Ti(2) atom. The Ti(1)-Ti(2) bond length is 0.10 Å. In the second Ti site, Ti(2) is bonded in a 3-coordinate geometry to two equivalent K(1), one Be(1), and one Ti(1) atom.