# generated using pymatgen
data_TaB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15708283
_cell_length_b   3.28148501
_cell_length_c   4.64637706
_cell_angle_alpha   110.67846127
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaB
_chemical_formula_sum   'Ta2 B2'
_cell_volume   45.03501538
_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
  Ta  Ta0  1  0.75000000  0.14556125  0.29112051  1.0
  Ta  Ta1  1  0.25000000  0.85443875  0.70887949  1.0
  B  B2  1  0.75000000  0.44013846  0.88027692  1.0
  B  B3  1  0.25000000  0.55986154  0.11972308  1.0