# generated using pymatgen
data_Ti3Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55114560
_cell_length_b   5.55114560
_cell_length_c   4.48577200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999529
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Be
_chemical_formula_sum   'Ti6 Be2'
_cell_volume   119.71073185
_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  0.17421700  0.34843300  0.25000000  1.0
  Ti  Ti1  1  0.65156700  0.82578300  0.25000000  1.0
  Ti  Ti2  1  0.17421700  0.82578300  0.25000000  1.0
  Ti  Ti3  1  0.82578300  0.65156700  0.75000000  1.0
  Ti  Ti4  1  0.34843300  0.17421700  0.75000000  1.0
  Ti  Ti5  1  0.82578300  0.17421700  0.75000000  1.0
  Be  Be6  1  0.33333300  0.66666700  0.75000000  1.0
  Be  Be7  1  0.66666700  0.33333300  0.25000000  1.0