# generated using pymatgen
data_Hf2BH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40222950
_cell_length_b   3.40223085
_cell_length_c   5.47913649
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2BH2
_chemical_formula_sum   'Hf2 B1 H2'
_cell_volume   54.92499993
_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  0.33333400  0.66666700  0.23736223  1.0
  Hf  Hf1  1  0.66666700  0.33333400  0.76263877  1.0
  B  B2  1  0.00000000  0.00000000  0.00000000  1.0
  H  H3  1  0.66666700  0.33333400  0.38736815  1.0
  H  H4  1  0.33333400  0.66666700  0.61263285  1.0