# generated using pymatgen data_HfMnSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84124276 _cell_length_b 8.95791153 _cell_length_c 9.75632054 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMnSi2 _chemical_formula_sum 'Hf12 Mn12 Si24' _cell_volume 685.29526162 _cell_formula_units_Z 12 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 0.74448365 0.82713508 0.04779712 1.0 Hf Hf1 1 0.74448365 0.17286492 0.95220288 1.0 Hf Hf2 1 0.25551635 0.67286492 0.54779712 1.0 Hf Hf3 1 0.25551635 0.32713508 0.45220288 1.0 Hf Hf4 1 0.25551635 0.17286492 0.95220288 1.0 Hf Hf5 1 0.25551635 0.82713508 0.04779712 1.0 Hf Hf6 1 0.74448365 0.32713508 0.45220288 1.0 Hf Hf7 1 0.74448365 0.67286492 0.54779712 1.0 Hf Hf8 1 0.50000000 0.83376669 0.32227885 1.0 Hf Hf9 1 0.50000000 0.16623331 0.67772115 1.0 Hf Hf10 1 0.50000000 0.66623331 0.82227885 1.0 Hf Hf11 1 0.50000000 0.33376669 0.17772115 1.0 Mn Mn12 1 0.74976656 0.58385057 0.25125664 1.0 Mn Mn13 1 0.74976656 0.41614943 0.74874336 1.0 Mn Mn14 1 0.25023344 0.91614943 0.75125664 1.0 Mn Mn15 1 0.25023344 0.08385057 0.24874336 1.0 Mn Mn16 1 0.25023344 0.41614943 0.74874336 1.0 Mn Mn17 1 0.25023344 0.58385057 0.25125664 1.0 Mn Mn18 1 0.74976656 0.08385057 0.24874336 1.0 Mn Mn19 1 0.74976656 0.91614943 0.75125664 1.0 Mn Mn20 1 0.74562023 -0.00000000 0.50000000 1.0 Mn Mn21 1 0.25437977 0.50000000 -0.00000000 1.0 Mn Mn22 1 0.25437977 -0.00000000 0.50000000 1.0 Mn Mn23 1 0.74562023 0.50000000 -0.00000000 1.0 Si Si24 1 0.84947247 0.83411197 0.31768311 1.0 Si Si25 1 0.84947247 0.16588803 0.68231689 1.0 Si Si26 1 0.15052753 0.66588803 0.81768311 1.0 Si Si27 1 0.15052753 0.33411197 0.18231689 1.0 Si Si28 1 0.15052753 0.16588803 0.68231689 1.0 Si Si29 1 0.15052753 0.83411197 0.31768311 1.0 Si Si30 1 0.84947247 0.33411197 0.18231689 1.0 Si Si31 1 0.84947247 0.66588803 0.81768311 1.0 Si Si32 1 0.50000000 0.53899051 0.38120979 1.0 Si Si33 1 0.50000000 0.46100949 0.61879021 1.0 Si Si34 1 0.50000000 0.96100949 0.88120979 1.0 Si Si35 1 0.50000000 0.03899051 0.11879021 1.0 Si Si36 1 -0.00000000 0.54056237 0.37886483 1.0 Si Si37 1 -0.00000000 0.45943763 0.62113517 1.0 Si Si38 1 -0.00000000 0.95943763 0.87886483 1.0 Si Si39 1 -0.00000000 0.04056237 0.12113517 1.0 Si Si40 1 0.50000000 0.62729113 0.11004461 1.0 Si Si41 1 0.50000000 0.37270887 0.88995539 1.0 Si Si42 1 0.50000000 0.87270887 0.61004461 1.0 Si Si43 1 0.50000000 0.12729113 0.38995539 1.0 Si Si44 1 -0.00000000 0.61134082 0.11091416 1.0 Si Si45 1 -0.00000000 0.38865918 0.88908584 1.0 Si Si46 1 -0.00000000 0.88865918 0.61091416 1.0 Si Si47 1 -0.00000000 0.11134082 0.38908584 1.0