# generated using pymatgen data_Hf3TaMn2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40190018 _cell_length_b 8.40189942 _cell_length_c 8.40190055 _cell_angle_alpha 59.99999941 _cell_angle_beta 60.00000242 _cell_angle_gamma 59.99999860 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3TaMn2N _chemical_formula_sum 'Hf12 Ta4 Mn8 N4' _cell_volume 419.38948379 _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 0.81210926 0.81210926 0.18789074 1.0 Hf Hf1 1 0.18789074 0.18789074 0.81210926 1.0 Hf Hf2 1 0.81210926 0.18789074 0.81210926 1.0 Hf Hf3 1 0.18789074 0.81210926 0.18789074 1.0 Hf Hf4 1 0.18789074 0.81210926 0.81210926 1.0 Hf Hf5 1 0.81210926 0.18789074 0.18789074 1.0 Hf Hf6 1 0.43789074 0.43789074 0.06210926 1.0 Hf Hf7 1 0.06210926 0.06210926 0.43789074 1.0 Hf Hf8 1 0.43789074 0.06210926 0.43789074 1.0 Hf Hf9 1 0.06210926 0.43789074 0.06210926 1.0 Hf Hf10 1 0.06210926 0.43789074 0.43789074 1.0 Hf Hf11 1 0.43789074 0.06210926 0.06210926 1.0 Ta Ta12 1 0.12500000 0.62500000 0.62500000 1.0 Ta Ta13 1 0.62500000 0.12500000 0.62500000 1.0 Ta Ta14 1 0.62500000 0.62500000 0.12500000 1.0 Ta Ta15 1 0.62500000 0.62500000 0.62500000 1.0 Mn Mn16 1 0.74038224 0.41987259 0.41987259 1.0 Mn Mn17 1 0.41987259 0.74038224 0.41987259 1.0 Mn Mn18 1 0.41987259 0.41987259 0.74038224 1.0 Mn Mn19 1 0.41987259 0.41987259 0.41987259 1.0 Mn Mn20 1 0.50961776 0.83012741 0.83012741 1.0 Mn Mn21 1 0.83012741 0.50961776 0.83012741 1.0 Mn Mn22 1 0.83012741 0.83012741 0.50961776 1.0 Mn Mn23 1 0.83012741 0.83012741 0.83012741 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0