# generated using pymatgen
data_TiBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55209750
_cell_length_b   4.55211019
_cell_length_c   4.55199874
_cell_angle_alpha   60.00224305
_cell_angle_beta   60.00253567
_cell_angle_gamma   60.00272047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe2
_chemical_formula_sum   'Ti2 Be4'
_cell_volume   66.70157199
_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
  Ti  Ti0  1  0.87500425  0.87500187  0.87499045  1.0
  Ti  Ti1  1  0.12499507  0.12499708  0.12501118  1.0
  Be  Be2  1  0.49999852  0.49999851  0.49999826  1.0
  Be  Be3  1  0.49999853  0.49999850  0.00000493  1.0
  Be  Be4  1  0.00000496  0.49999814  0.49999856  1.0
  Be  Be5  1  0.49999866  0.00000490  0.49999862  1.0