# generated using pymatgen data_Hf6AlAsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87979447 _cell_length_b 5.87979436 _cell_length_c 8.55328553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.80694924 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6AlAsN2 _chemical_formula_sum 'Hf6 Al1 As1 N2' _cell_volume 161.88664389 _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 0.63120436 0.36879564 0.44441969 1.0 Hf Hf1 1 0.37146910 0.62853090 0.54882050 1.0 Hf Hf2 1 0.63120436 0.36879564 0.05558031 1.0 Hf Hf3 1 0.37146910 0.62853090 0.95117950 1.0 Hf Hf4 1 0.94247192 0.05752808 0.25000000 1.0 Hf Hf5 1 0.04844388 0.95155612 0.75000000 1.0 Al Al6 1 0.74451724 0.25548276 0.75000000 1.0 As As7 1 0.25683620 0.74316380 0.25000000 1.0 N N8 1 0.00119193 0.99880807 0.49572799 1.0 N N9 1 0.00119193 0.99880807 0.00427201 1.0