# generated using pymatgen
data_TaNb3B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17617574
_cell_length_b   3.30243798
_cell_length_c   8.74658429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaNb3B4
_chemical_formula_sum   'Ta1 Nb3 B4'
_cell_volume   91.74400193
_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  0.00000000  0.14524897  1.0
  Nb  Nb1  1  0.00000000  0.50000000  0.64538816  1.0
  Nb  Nb2  1  0.50000000  0.50000000  0.35358061  1.0
  Nb  Nb3  1  0.50000000  0.00000000  0.85475497  1.0
  B  B4  1  0.00000000  0.00000000  0.44048341  1.0
  B  B5  1  0.00000000  0.50000000  0.94221597  1.0
  B  B6  1  0.50000000  0.50000000  0.06031379  1.0
  B  B7  1  0.50000000  0.00000000  0.55801612  1.0