# generated using pymatgen
data_HfTa5B4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31477000
_cell_length_b   6.26121100
_cell_length_c   6.26121100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa5B4
_chemical_formula_sum   'Hf1 Ta5 B4'
_cell_volume   129.94814333
_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
  Hf  Hf0  1  0.00000000  0.50000000  0.50000000  1.0
  Ta  Ta1  1  0.50000000  0.17287800  0.67881300  1.0
  Ta  Ta2  1  0.50000000  0.82712200  0.32118700  1.0
  Ta  Ta3  1  0.50000000  0.32118700  0.17287800  1.0
  Ta  Ta4  1  0.50000000  0.67881300  0.82712200  1.0
  Ta  Ta5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.00000000  0.60688900  0.10511200  1.0
  B  B7  1  0.00000000  0.39311100  0.89488800  1.0
  B  B8  1  0.00000000  0.89488800  0.60688900  1.0
  B  B9  1  0.00000000  0.10511200  0.39311100  1.0