# generated using pymatgen
data_TaFeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97856614
_cell_length_b   5.97858872
_cell_length_c   3.15345411
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00014244
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaFeB
_chemical_formula_sum   'Ta3 Fe3 B3'
_cell_volume   97.61402944
_cell_formula_units_Z   3
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  0.40963892  0.00000163  0.50000000  1.0
  Ta  Ta1  1  0.00000000  0.40964437  0.50000000  1.0
  Ta  Ta2  1  0.59036108  0.59036270  0.50000000  1.0
  Fe  Fe3  1  0.75838375  -0.00000568  0.00000000  1.0
  Fe  Fe4  1  0.00000000  0.75837703  -0.00000000  1.0
  Fe  Fe5  1  0.24161625  0.24161057  -0.00000000  1.0
  B  B6  1  0.33333425  0.66666905  -0.00000000  1.0
  B  B7  1  0.66666575  0.33333380  -0.00000000  1.0
  B  B8  1  -0.00000000  0.00000553  0.50000000  1.0