# generated using pymatgen data_HfMn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94414902 _cell_length_b 4.94414902 _cell_length_c 16.13879700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.91389927 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMn2 _chemical_formula_sum 'Hf8 Mn16' _cell_volume 341.94876470 _cell_formula_units_Z 8 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 0.99994600 0.00005400 0.59363200 1.0 Hf Hf1 1 0.00005400 0.99994600 0.40636800 1.0 Hf Hf2 1 0.00005400 0.99994600 0.09363200 1.0 Hf Hf3 1 0.99994600 0.00005400 0.90636800 1.0 Hf Hf4 1 0.66664200 0.33335800 0.34415400 1.0 Hf Hf5 1 0.33335800 0.66664200 0.65584600 1.0 Hf Hf6 1 0.33335800 0.66664200 0.84415400 1.0 Hf Hf7 1 0.66664200 0.33335800 0.15584600 1.0 Mn Mn8 1 0.66669700 0.33330300 0.62459800 1.0 Mn Mn9 1 0.33330300 0.66669700 0.37540200 1.0 Mn Mn10 1 0.33330300 0.66669700 0.12459800 1.0 Mn Mn11 1 0.66669700 0.33330300 0.87540200 1.0 Mn Mn12 1 0.50000000 0.00000000 0.50000000 1.0 Mn Mn13 1 0.50000000 0.50000000 0.50000000 1.0 Mn Mn14 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn15 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn16 1 0.50000000 0.50000000 0.00000000 1.0 Mn Mn17 1 0.00000000 0.50000000 0.00000000 1.0 Mn Mn18 1 0.83650800 0.67322300 0.75000000 1.0 Mn Mn19 1 0.83641000 0.16359000 0.75000000 1.0 Mn Mn20 1 0.32677700 0.16349200 0.75000000 1.0 Mn Mn21 1 0.16349200 0.32677700 0.25000000 1.0 Mn Mn22 1 0.16359000 0.83641000 0.25000000 1.0 Mn Mn23 1 0.67322300 0.83650800 0.25000000 1.0