# generated using pymatgen data_Ce3Sc5(B6W)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55499431 _cell_length_b 9.14019695 _cell_length_c 11.53474225 _cell_angle_alpha 90.00900245 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Sc5(B6W)4 _chemical_formula_sum 'Ce3 Sc5 B24 W4' _cell_volume 374.80239097 _cell_formula_units_Z 1 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 Ce Ce0 1 0.00000000 0.81983209 0.08523158 1.0 Ce Ce1 1 0.00000000 0.18002242 0.91387573 1.0 Ce Ce2 1 0.00000000 0.32094278 0.41553063 1.0 Sc Sc3 1 0.00000000 0.68008120 0.58616118 1.0 Sc Sc4 1 0.00000000 0.44556257 0.12834450 1.0 Sc Sc5 1 0.00000000 0.55570351 0.87046625 1.0 Sc Sc6 1 0.00000000 0.94353550 0.37394780 1.0 Sc Sc7 1 0.00000000 0.05412471 0.62715692 1.0 B B8 1 0.50000000 0.05345511 0.06735316 1.0 B B9 1 0.50000000 0.94567945 0.93128614 1.0 B B10 1 0.50000000 0.55498049 0.43686265 1.0 B B11 1 0.50000000 0.44896875 0.56675052 1.0 B B12 1 0.50000000 0.25636057 0.08133614 1.0 B B13 1 0.50000000 0.74335635 0.91693643 1.0 B B14 1 0.50000000 0.75551642 0.42403583 1.0 B B15 1 0.50000000 0.24409146 0.58097614 1.0 B B16 1 0.50000000 0.29650382 0.23606497 1.0 B B17 1 0.50000000 0.70243650 0.76045852 1.0 B B18 1 0.50000000 0.79639106 0.26638925 1.0 B B19 1 0.50000000 0.20393628 0.73471559 1.0 B B20 1 0.50000000 0.12816591 0.31885472 1.0 B B21 1 0.50000000 0.86870702 0.67833159 1.0 B B22 1 0.50000000 0.62892526 0.18305194 1.0 B B23 1 0.50000000 0.37282069 0.81745315 1.0 B B24 1 0.50000000 0.48027818 0.28647725 1.0 B B25 1 0.50000000 0.52300858 0.71257944 1.0 B B26 1 0.50000000 0.97921903 0.21613388 1.0 B B27 1 0.50000000 0.01982683 0.78305960 1.0 B B28 1 0.50000000 0.09463717 0.47429576 1.0 B B29 1 0.50000000 0.90156348 0.52701643 1.0 B B30 1 0.50000000 0.59582649 0.02570119 1.0 B B31 1 0.50000000 0.40482662 0.97338724 1.0 W W32 1 0.00000000 0.14118215 0.18163384 1.0 W W33 1 0.00000000 0.85853835 0.81655917 1.0 W W34 1 0.00000000 0.64122264 0.32102249 1.0 W W35 1 0.00000000 0.35977457 0.68055637 1.0