# generated using pymatgen
data_TiBe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48669091
_cell_length_b   4.48669091
_cell_length_c   7.51919734
_cell_angle_alpha   72.64152732
_cell_angle_beta   72.64152732
_cell_angle_gamma   59.99998921
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBe3
_chemical_formula_sum   'Ti3 Be9'
_cell_volume   123.06100886
_cell_formula_units_Z   3
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  0.14227604  0.14227604  0.57317187  1.0
  Ti  Ti1  1  0.85772396  0.85772396  0.42682813  1.0
  Ti  Ti2  1  0.00000000  -0.00000000  -0.00000000  1.0
  Be  Be3  1  0.07929407  0.58208472  0.75653650  1.0
  Be  Be4  1  0.58208472  0.58208472  0.75653650  1.0
  Be  Be5  1  0.58208472  0.07929407  0.75653650  1.0
  Be  Be6  1  0.92070593  0.41791528  0.24346350  1.0
  Be  Be7  1  0.41791528  0.41791528  0.24346350  1.0
  Be  Be8  1  0.41791528  0.92070593  0.24346350  1.0
  Be  Be9  1  0.33376545  0.33376545  0.99870565  1.0
  Be  Be10  1  0.66623455  0.66623455  0.00129435  1.0
  Be  Be11  1  0.50000000  0.50000000  0.50000000  1.0