# generated using pymatgen data_YbScMnB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40593316 _cell_length_b 8.99226438 _cell_length_c 11.33694205 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YbScMnB6 _chemical_formula_sum 'Yb4 Sc4 Mn4 B24' _cell_volume 347.21710722 _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 Yb Yb0 1 0.50000000 0.32313725 0.41537025 1.0 Yb Yb1 1 0.50000000 0.67686275 0.58462975 1.0 Yb Yb2 1 0.50000000 0.17686275 0.91537025 1.0 Yb Yb3 1 0.50000000 0.82313725 0.08462975 1.0 Sc Sc4 1 0.50000000 0.44280286 0.13094242 1.0 Sc Sc5 1 0.50000000 0.55719714 0.86905758 1.0 Sc Sc6 1 0.50000000 0.05719714 0.63094242 1.0 Sc Sc7 1 0.50000000 0.94280286 0.36905758 1.0 Mn Mn8 1 0.50000000 0.14127611 0.18146581 1.0 Mn Mn9 1 0.50000000 0.85872389 0.81853419 1.0 Mn Mn10 1 0.50000000 0.35872389 0.68146581 1.0 Mn Mn11 1 0.50000000 0.64127611 0.31853419 1.0 B B12 1 0.00000000 0.09570322 0.47412651 1.0 B B13 1 0.00000000 0.90429678 0.52587349 1.0 B B14 1 0.00000000 0.40429678 0.97412651 1.0 B B15 1 0.00000000 0.59570322 0.02587349 1.0 B B16 1 0.00000000 0.13040266 0.31675148 1.0 B B17 1 0.00000000 0.86959734 0.68324852 1.0 B B18 1 0.00000000 0.36959734 0.81675148 1.0 B B19 1 0.00000000 0.63040266 0.18324852 1.0 B B20 1 0.00000000 0.05604545 0.06916821 1.0 B B21 1 0.00000000 0.94395455 0.93083179 1.0 B B22 1 0.00000000 0.44395455 0.56916821 1.0 B B23 1 0.00000000 0.55604545 0.43083179 1.0 B B24 1 0.00000000 0.48397358 0.28655834 1.0 B B25 1 0.00000000 0.51602642 0.71344166 1.0 B B26 1 0.00000000 0.01602642 0.78655834 1.0 B B27 1 0.00000000 0.98397358 0.21344166 1.0 B B28 1 0.00000000 0.25163711 0.08331119 1.0 B B29 1 0.00000000 0.74836289 0.91668881 1.0 B B30 1 0.00000000 0.24836289 0.58331119 1.0 B B31 1 0.00000000 0.75163711 0.41668881 1.0 B B32 1 0.00000000 0.29301959 0.23592561 1.0 B B33 1 0.00000000 0.70698041 0.76407439 1.0 B B34 1 0.00000000 0.20698041 0.73592561 1.0 B B35 1 0.00000000 0.79301959 0.26407439 1.0