# generated using pymatgen data_HfMgN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36655539 _cell_length_b 7.37675005 _cell_length_c 4.40368061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgN2 _chemical_formula_sum 'Hf4 Mg4 N8' _cell_volume 206.81660425 _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 0.58780106 0.36953665 0.94253148 1.0 Hf Hf1 1 0.41219894 0.63046335 0.44253248 1.0 Hf Hf2 1 0.91219894 0.86953665 0.44253248 1.0 Hf Hf3 1 0.08780106 0.13046335 0.94253148 1.0 Mg Mg4 1 0.57918015 0.88175101 0.94256460 1.0 Mg Mg5 1 0.42081985 0.11824899 0.44256460 1.0 Mg Mg6 1 0.92081985 0.38175101 0.44256460 1.0 Mg Mg7 1 0.07918015 0.61824899 0.94256460 1.0 N N8 1 0.57927328 0.38527568 0.44247420 1.0 N N9 1 0.42072672 0.61472432 0.94247420 1.0 N N10 1 0.92072672 0.88527568 0.94247420 1.0 N N11 1 0.07927328 0.11472432 0.44247420 1.0 N N12 1 0.58466307 0.86758384 0.44242772 1.0 N N13 1 0.41533693 0.13241616 0.94242772 1.0 N N14 1 0.91533693 0.36758384 0.94242772 1.0 N N15 1 0.08466307 0.63241616 0.44242772 1.0