[CIF]
data_TiBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68713040
_cell_length_b   6.68713040
_cell_length_c   6.68713040
_cell_angle_alpha   151.19496270
_cell_angle_beta   151.19496270
_cell_angle_gamma   41.19010582
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2
_chemical_formula_sum   'Ti2 Be4'
_cell_volume   69.27266218
_cell_formula_units_Z   2
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
  Be  Be0  1  0.00000000  -0.00000000  7.26907186  1
  Be  Be1  1  1.66330643  -0.00000000  2.12056109  1
  Be  Be2  1  0.00000000  -0.00000000  5.25043874  1
  Be  Be3  1  1.66330643  -0.00000000  4.13919421  1
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1
  Ti  Ti5  1  0.00000000  1.66330642  3.12987765  1
[/CIF]
