# generated using pymatgen data_Hf6BeAsN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74994133 _cell_length_b 5.74994044 _cell_length_c 8.44965769 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 146.00996863 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf6BeAsN2 _chemical_formula_sum 'Hf6 Be1 As1 N2' _cell_volume 156.17642651 _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 0.63102123 0.36897877 0.93967053 1.0 Hf Hf1 1 0.36888290 0.63111710 0.44881180 1.0 Hf Hf2 1 0.36888290 0.63111710 0.05118820 1.0 Hf Hf3 1 0.63102123 0.36897877 0.56032947 1.0 Hf Hf4 1 0.93865836 0.06134164 0.75000000 1.0 Hf Hf5 1 0.05930825 0.94069175 0.25000000 1.0 Be Be6 1 0.25535552 0.74464448 0.75000000 1.0 As As7 1 0.74692787 0.25307213 0.25000000 1.0 N N8 1 0.99997136 0.00002864 0.00049730 1.0 N N9 1 0.99997136 0.00002864 0.49950270 1.0