# generated using pymatgen
data_HfTa(BeB)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.30070276
_cell_length_b   3.30070223
_cell_length_c   6.69028682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa(BeB)2
_chemical_formula_sum   'Hf1 Ta1 Be2 B2'
_cell_volume   63.12306297
_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
  Be  Be2  1  0.66666700  0.33333300  0.74081103  1.0
  Be  Be3  1  0.66666700  0.33333300  0.25918897  1.0
  B  B4  1  0.33333300  0.66666700  0.73759058  1.0
  B  B5  1  0.33333300  0.66666700  0.26240942  1.0