# generated using pymatgen
data_Ta3Be2NbB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25851336
_cell_length_b   3.32491973
_cell_length_c   8.93527345
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Be2NbB2
_chemical_formula_sum   'Ta3 Be2 Nb1 B2'
_cell_volume   96.80739173
_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  0.00000000  0.50000000  0.64803166  1.0
  Ta  Ta1  1  0.50000000  0.50000000  0.35562071  1.0
  Ta  Ta2  1  0.50000000  0.00000000  0.85424104  1.0
  Be  Be3  1  0.50000000  0.50000000  0.06113575  1.0
  Be  Be4  1  0.50000000  0.00000000  0.56221905  1.0
  Nb  Nb5  1  0.00000000  0.00000000  0.14818113  1.0
  B  B6  1  0.00000000  0.00000000  0.43655855  1.0
  B  B7  1  0.00000000  0.50000000  0.93401310  1.0