# generated using pymatgen
data_Hf(Nb2B3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   21.37396745
_cell_length_b   21.37396745
_cell_length_c   21.37396745
_cell_angle_alpha   171.52129685
_cell_angle_beta   171.00641661
_cell_angle_gamma   12.37213684
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf(Nb2B3)4
_chemical_formula_sum   'Hf1 Nb8 B12'
_cell_volume   225.05769931
_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
  Nb  Nb1  1  0.06213400  0.06213400  0.00000000  1.0
  Nb  Nb2  1  0.72822300  0.72822300  0.00000000  1.0
  Nb  Nb3  1  0.39475200  0.39475200  0.00000000  1.0
  Nb  Nb4  1  0.60524800  0.60524800  0.00000000  1.0
  Nb  Nb5  1  0.27177700  0.27177700  0.00000000  1.0
  Nb  Nb6  1  0.93786600  0.93786600  0.00000000  1.0
  Nb  Nb7  1  0.66673000  0.16673000  0.50000000  1.0
  Nb  Nb8  1  0.33327000  0.83327000  0.50000000  1.0
  B  B9  1  0.14528800  0.64528800  0.50000000  1.0
  B  B10  1  0.81177300  0.31177300  0.50000000  1.0
  B  B11  1  0.47831600  0.97831600  0.50000000  1.0
  B  B12  1  0.52168400  0.02168400  0.50000000  1.0
  B  B13  1  0.18822700  0.68822700  0.50000000  1.0
  B  B14  1  0.85471200  0.35471200  0.50000000  1.0
  B  B15  1  0.12273300  0.12273300  0.00000000  1.0
  B  B16  1  0.78924700  0.78924700  0.00000000  1.0
  B  B17  1  0.45546900  0.45546900  0.00000000  1.0
  B  B18  1  0.54453100  0.54453100  0.00000000  1.0
  B  B19  1  0.21075300  0.21075300  0.00000000  1.0
  B  B20  1  0.87726700  0.87726700  0.00000000  1.0