# generated using pymatgen data_Hf2Be17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46450661 _cell_length_b 7.46450661 _cell_length_c 7.28314380 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999758 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Be17 _chemical_formula_sum 'Hf4 Be34' _cell_volume 351.44044544 _cell_formula_units_Z 2 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 0.25000000 1.0 Hf Hf1 1 0.00000000 0.00000000 0.75000000 1.0 Hf Hf2 1 0.33333300 0.66666700 0.75000000 1.0 Hf Hf3 1 0.66666700 0.33333300 0.25000000 1.0 Be Be4 1 0.33333300 0.66666700 0.39446600 1.0 Be Be5 1 0.66666700 0.33333300 0.60553400 1.0 Be Be6 1 0.66666700 0.33333300 0.89446600 1.0 Be Be7 1 0.33333300 0.66666700 0.10553400 1.0 Be Be8 1 0.50000000 0.50000000 0.50000000 1.0 Be Be9 1 0.50000000 0.00000000 0.50000000 1.0 Be Be10 1 0.00000000 0.50000000 0.50000000 1.0 Be Be11 1 0.50000000 0.50000000 0.00000000 1.0 Be Be12 1 0.50000000 0.00000000 0.00000000 1.0 Be Be13 1 0.00000000 0.50000000 0.00000000 1.0 Be Be14 1 0.33067986 0.37658499 0.25000000 1.0 Be Be15 1 0.62341501 0.95409387 0.25000000 1.0 Be Be16 1 0.04590613 0.66932014 0.25000000 1.0 Be Be17 1 0.62341501 0.66932014 0.25000000 1.0 Be Be18 1 0.04590613 0.37658499 0.25000000 1.0 Be Be19 1 0.33067986 0.95409387 0.25000000 1.0 Be Be20 1 0.66932014 0.62341501 0.75000000 1.0 Be Be21 1 0.37658499 0.04590613 0.75000000 1.0 Be Be22 1 0.95409387 0.33067986 0.75000000 1.0 Be Be23 1 0.37658499 0.33067986 0.75000000 1.0 Be Be24 1 0.95409387 0.62341501 0.75000000 1.0 Be Be25 1 0.66932014 0.04590613 0.75000000 1.0 Be Be26 1 0.16497335 0.83502665 0.51299958 1.0 Be Be27 1 0.16497335 0.32994671 0.51299958 1.0 Be Be28 1 0.67005329 0.83502665 0.51299958 1.0 Be Be29 1 0.83502665 0.16497335 0.48700042 1.0 Be Be30 1 0.83502665 0.67005329 0.48700042 1.0 Be Be31 1 0.32994671 0.16497335 0.48700042 1.0 Be Be32 1 0.83502665 0.16497335 0.01299958 1.0 Be Be33 1 0.83502665 0.67005329 0.01299958 1.0 Be Be34 1 0.32994671 0.16497335 0.01299958 1.0 Be Be35 1 0.16497335 0.83502665 0.98700042 1.0 Be Be36 1 0.16497335 0.32994671 0.98700042 1.0 Be Be37 1 0.67005329 0.83502665 0.98700042 1.0