# generated using pymatgen
data_Ta6Be3B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42628325
_cell_length_b   6.42628325
_cell_length_c   3.31519794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.92244118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta6Be3B
_chemical_formula_sum   'Ta6 Be3 B1'
_cell_volume   136.90798999
_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  0.49749427  0.50102702  0.00000000  1.0
  Ta  Ta1  1  0.00102702  0.99749427  0.00000000  1.0
  Ta  Ta2  1  0.68075264  0.18075264  0.50000000  1.0
  Ta  Ta3  1  0.31213071  0.81213071  0.50000000  1.0
  Ta  Ta4  1  0.17747620  0.32987693  0.50000000  1.0
  Ta  Ta5  1  0.82987693  0.67747620  0.50000000  1.0
  Be  Be6  1  0.89031991  0.39031991  0.00000000  1.0
  Be  Be7  1  0.61325311  0.88505944  0.00000000  1.0
  Be  Be8  1  0.38505944  0.11325311  0.00000000  1.0
  B  B9  1  0.11260977  0.61260977  0.00000000  1.0