# generated using pymatgen data_Hf2Mn3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.73898947 _cell_length_b 9.73898957 _cell_length_c 13.00936111 _cell_angle_alpha 53.63816056 _cell_angle_beta 53.63816020 _cell_angle_gamma 30.63514833 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Mn3Si4 _chemical_formula_sum 'Hf8 Mn12 Si16' _cell_volume 495.93416577 _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 0.29320826 0.56237542 0.64499221 1.0 Hf Hf1 1 0.43762458 0.70679174 0.85500779 1.0 Hf Hf2 1 0.70679174 0.43762458 0.35500779 1.0 Hf Hf3 1 0.56237542 0.29320826 0.14499221 1.0 Hf Hf4 1 0.03036295 0.29413959 0.64470204 1.0 Hf Hf5 1 0.70586041 0.96963705 0.85529796 1.0 Hf Hf6 1 0.96963705 0.70586041 0.35529796 1.0 Hf Hf7 1 0.29413959 0.03036295 0.14470204 1.0 Mn Mn8 1 0.64639484 0.83216235 0.27619221 1.0 Mn Mn9 1 0.16783765 0.35360516 0.22380779 1.0 Mn Mn10 1 0.75910514 0.48630784 0.05900335 1.0 Mn Mn11 1 0.83216235 0.64639484 0.77619221 1.0 Mn Mn12 1 0.89310588 0.15008160 0.58312769 1.0 Mn Mn13 1 0.84991840 0.10689412 0.91687231 1.0 Mn Mn14 1 0.10689412 0.84991840 0.41687231 1.0 Mn Mn15 1 0.15008160 0.89310588 0.08312769 1.0 Mn Mn16 1 0.24089486 0.51369216 0.94099665 1.0 Mn Mn17 1 0.48630784 0.75910514 0.55900335 1.0 Mn Mn18 1 0.51369216 0.24089486 0.44099665 1.0 Mn Mn19 1 0.35360516 0.16783765 0.72380779 1.0 Si Si20 1 0.88161033 0.11838967 0.25000000 1.0 Si Si21 1 0.11838967 0.88161033 0.75000000 1.0 Si Si22 1 0.38930076 0.61069924 0.25000000 1.0 Si Si23 1 0.61069924 0.38930076 0.75000000 1.0 Si Si24 1 0.96907011 0.25234801 0.89584389 1.0 Si Si25 1 0.74765199 0.03092989 0.60415611 1.0 Si Si26 1 0.03092989 0.74765199 0.10415611 1.0 Si Si27 1 0.25234801 0.96907011 0.39584389 1.0 Si Si28 1 0.57853209 0.08032950 0.06476481 1.0 Si Si29 1 0.91967050 0.42146791 0.43523519 1.0 Si Si30 1 0.42146791 0.91967050 0.93523519 1.0 Si Si31 1 0.08032950 0.57853209 0.56476481 1.0 Si Si32 1 0.39416245 0.13795005 0.39682434 1.0 Si Si33 1 0.86204995 0.60583755 0.10317566 1.0 Si Si34 1 0.60583755 0.86204995 0.60317566 1.0 Si Si35 1 0.13795005 0.39416245 0.89682434 1.0