# generated using pymatgen data_Hf3Zn3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.60465392 _cell_length_b 8.60465396 _cell_length_c 8.60465443 _cell_angle_alpha 59.99999820 _cell_angle_beta 59.99999803 _cell_angle_gamma 60.00000101 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Zn3B _chemical_formula_sum 'Hf12 Zn12 B4' _cell_volume 450.49009274 _cell_formula_units_Z 4 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 0.44940740 0.44940740 0.05059260 1.0 Hf Hf1 1 0.05059260 0.44940740 0.05059260 1.0 Hf Hf2 1 0.44940740 0.05059260 0.05059260 1.0 Hf Hf3 1 0.05059260 0.05059260 0.44940740 1.0 Hf Hf4 1 0.44940740 0.05059260 0.44940740 1.0 Hf Hf5 1 0.05059260 0.44940740 0.44940740 1.0 Hf Hf6 1 0.80059260 0.80059260 0.19940740 1.0 Hf Hf7 1 0.19940740 0.80059260 0.19940740 1.0 Hf Hf8 1 0.80059260 0.19940740 0.19940740 1.0 Hf Hf9 1 0.19940740 0.19940740 0.80059260 1.0 Hf Hf10 1 0.80059260 0.19940740 0.80059260 1.0 Hf Hf11 1 0.19940740 0.80059260 0.80059260 1.0 Zn Zn12 1 0.83111608 0.83111608 0.50665076 1.0 Zn Zn13 1 0.83111608 0.50665076 0.83111608 1.0 Zn Zn14 1 0.50665076 0.83111608 0.83111608 1.0 Zn Zn15 1 0.83111608 0.83111608 0.83111608 1.0 Zn Zn16 1 0.41888392 0.41888392 0.74334924 1.0 Zn Zn17 1 0.41888392 0.74334924 0.41888392 1.0 Zn Zn18 1 0.74334924 0.41888392 0.41888392 1.0 Zn Zn19 1 0.41888392 0.41888392 0.41888392 1.0 Zn Zn20 1 0.62500000 0.62500000 0.12500000 1.0 Zn Zn21 1 0.62500000 0.12500000 0.62500000 1.0 Zn Zn22 1 0.12500000 0.62500000 0.62500000 1.0 Zn Zn23 1 0.62500000 0.62500000 0.62500000 1.0 B B24 1 0.12500000 0.12500000 0.62500000 1.0 B B25 1 0.12500000 0.62500000 0.12500000 1.0 B B26 1 0.62500000 0.12500000 0.12500000 1.0 B B27 1 0.12500000 0.12500000 0.12500000 1.0