# generated using pymatgen
data_Ti2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84344925
_cell_length_b   4.84344925
_cell_length_c   4.84344925
_cell_angle_alpha   99.58570573
_cell_angle_beta   99.58570573
_cell_angle_gamma   131.83244409
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2B
_chemical_formula_sum   'Ti4 B2'
_cell_volume   77.29026514
_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  0.15800400  0.65800400  0.81600700  1.0
  Ti  Ti1  1  0.84199600  0.34199600  0.18399300  1.0
  Ti  Ti2  1  0.34199600  0.15800400  0.50000000  1.0
  Ti  Ti3  1  0.65800400  0.84199600  0.50000000  1.0
  B  B4  1  0.50000000  0.50000000  0.00000000  1.0
  B  B5  1  0.00000000  0.00000000  0.00000000  1.0