# generated using pymatgen
data_TiBeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27823198
_cell_length_b   3.27824167
_cell_length_c   3.14291300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99878560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiBeB
_chemical_formula_sum   'Ti1 Be1 B1'
_cell_volume   29.25155478
_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
  Ti  Ti0  1  0.99995700  0.00001900  0.00000000  1.0
  Be  Be1  1  0.33329700  0.66666500  0.50000000  1.0
  B  B2  1  0.66664700  0.33331500  0.50000000  1.0