# generated using pymatgen
data_Ta3NbB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16840185
_cell_length_b   3.28500540
_cell_length_c   8.70440605
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3NbB4
_chemical_formula_sum   'Ta3 Nb1 B4'
_cell_volume   90.59734875
_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  0.64574216  1.0
  Ta  Ta1  1  0.50000000  0.50000000  0.35516025  1.0
  Ta  Ta2  1  0.50000000  0.00000000  0.85417532  1.0
  Nb  Nb3  1  0.00000000  0.00000000  0.14593933  1.0
  B  B4  1  0.00000000  0.00000000  0.44065663  1.0
  B  B5  1  0.00000000  0.50000000  0.93895002  1.0
  B  B6  1  0.50000000  0.50000000  0.05852074  1.0
  B  B7  1  0.50000000  0.00000000  0.56085654  1.0