# generated using pymatgen
data_Ta3BeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34700825
_cell_length_b   6.36206929
_cell_length_c   3.29260147
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3BeB
_chemical_formula_sum   'Ta6 Be2 B2'
_cell_volume   132.95559709
_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  0.00180294  0.00331225  0.00000000  1.0
  Ta  Ta1  1  0.50180294  0.49668775  0.00000000  1.0
  Ta  Ta2  1  0.32145544  0.82864033  0.50000000  1.0
  Ta  Ta3  1  0.82145544  0.67135967  0.50000000  1.0
  Ta  Ta4  1  0.17877493  0.31516477  0.50000000  1.0
  Ta  Ta5  1  0.67877493  0.18483523  0.50000000  1.0
  Be  Be6  1  0.11112170  0.60751816  0.00000000  1.0
  Be  Be7  1  0.61112170  0.89248184  0.00000000  1.0
  B  B8  1  0.38684498  0.11463770  0.00000000  1.0
  B  B9  1  0.88684498  0.38536230  0.00000000  1.0