# generated using pymatgen
data_Ta2(TiB2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.35220870
_cell_length_b   11.35220764
_cell_length_c   3.26975806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   164.46736199
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2(TiB2)3
_chemical_formula_sum   'Ta2 Ti3 B6'
_cell_volume   112.84081581
_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
  Ta  Ta0  1  0.19241051  0.80758949  0.50000000  1.0
  Ta  Ta1  1  0.80758949  0.19241051  0.50000000  1.0
  Ti  Ti2  1  0.38720232  0.61279768  0.00000000  1.0
  Ti  Ti3  1  0.61279768  0.38720232  0.00000000  1.0
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1.0
  B  B5  1  0.46108444  0.53891556  0.50000000  1.0
  B  B6  1  0.53891556  0.46108444  0.50000000  1.0
  B  B7  1  0.27251494  0.72748506  0.00000000  1.0
  B  B8  1  0.72748506  0.27251494  0.00000000  1.0
  B  B9  1  0.08019126  0.91980874  0.50000000  1.0
  B  B10  1  0.91980874  0.08019126  0.50000000  1.0