# generated using pymatgen data_Hf6NiBr15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.23050189 _cell_length_b 9.23050238 _cell_length_c 9.23050225 _cell_angle_alpha 109.47122035 _cell_angle_beta 109.47122141 _cell_angle_gamma 109.47121880 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6NiBr15 _chemical_formula_sum 'Hf6 Ni1 Br15' _cell_volume 605.41629069 _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 0.23126123 0.23126123 1.0 Hf Hf1 1 1.00000000 0.76873877 0.76873877 1.0 Hf Hf2 1 0.23126123 0.00000000 0.23126123 1.0 Hf Hf3 1 0.76873877 0.00000000 0.76873877 1.0 Hf Hf4 1 0.23126123 0.23126123 0.00000000 1.0 Hf Hf5 1 0.76873877 0.76873877 1.00000000 1.0 Ni Ni6 1 0.00000000 0.00000000 0.00000000 1.0 Br Br7 1 0.49795209 0.24897654 0.24897654 1.0 Br Br8 1 0.50204791 0.75102346 0.75102346 1.0 Br Br9 1 1.00000000 0.24897654 0.75102346 1.0 Br Br10 1 0.00000000 0.75102346 0.24897654 1.0 Br Br11 1 0.24897654 0.49795209 0.24897654 1.0 Br Br12 1 0.75102346 0.00000000 0.24897654 1.0 Br Br13 1 0.75102346 0.50204791 0.75102346 1.0 Br Br14 1 0.24897654 0.00000000 0.75102346 1.0 Br Br15 1 0.24897654 0.24897654 0.49795209 1.0 Br Br16 1 0.75102346 0.75102346 0.50204791 1.0 Br Br17 1 0.75102346 0.24897654 1.00000000 1.0 Br Br18 1 0.24897654 0.75102346 0.00000000 1.0 Br Br19 1 0.00000000 0.50000000 0.50000000 1.0 Br Br20 1 0.50000000 0.00000000 0.50000000 1.0 Br Br21 1 0.50000000 0.50000000 0.00000000 1.0