# generated using pymatgen
data_HfTaB4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11413901
_cell_length_b   3.11413901
_cell_length_c   6.76783098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaB4
_chemical_formula_sum   'Hf1 Ta1 B4'
_cell_volume   56.84026014
_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  -0.00000000  -0.00000000  1.0
  Ta  Ta1  1  -0.00000000  -0.00000000  0.50000000  1.0
  B  B2  1  0.66666700  0.33333300  0.74444088  1.0
  B  B3  1  0.66666700  0.33333300  0.25555912  1.0
  B  B4  1  0.33333300  0.66666700  0.74444088  1.0
  B  B5  1  0.33333300  0.66666700  0.25555912  1.0