# generated using pymatgen data_Ce4TcB16Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63441002 _cell_length_b 5.99236569 _cell_length_c 11.62603644 _cell_angle_alpha 89.98529987 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce4TcB16Ru3 _chemical_formula_sum 'Ce4 Tc1 B16 Ru3' _cell_volume 253.20011328 _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 0.62762517 0.65063559 1.0 Ce Ce1 1 0.00000000 0.37226549 0.35056093 1.0 Ce Ce2 1 0.00000000 0.12711208 0.84998333 1.0 Ce Ce3 1 0.00000000 0.87230754 0.14949877 1.0 Tc Tc4 1 0.00000000 0.63720493 0.90816050 1.0 B B5 1 0.50000000 0.97509262 0.69001457 1.0 B B6 1 0.50000000 0.02611503 0.30967661 1.0 B B7 1 0.50000000 0.47426862 0.80977485 1.0 B B8 1 0.50000000 0.52619627 0.18997439 1.0 B B9 1 0.50000000 0.78471310 0.81445847 1.0 B B10 1 0.50000000 0.21524708 0.18549590 1.0 B B11 1 0.50000000 0.28399951 0.68509708 1.0 B B12 1 0.50000000 0.71532839 0.31474859 1.0 B B13 1 0.50000000 0.86246408 0.96840325 1.0 B B14 1 0.50000000 0.13866153 0.03174955 1.0 B B15 1 0.50000000 0.36164094 0.53162313 1.0 B B16 1 0.50000000 0.63800143 0.46842328 1.0 B B17 1 0.50000000 0.88864467 0.54568919 1.0 B B18 1 0.50000000 0.11133131 0.45434143 1.0 B B19 1 0.50000000 0.38872748 0.95420518 1.0 B B20 1 0.50000000 0.61203418 0.04534797 1.0 Ru Ru21 1 0.00000000 0.36203930 0.09350046 1.0 Ru Ru22 1 0.00000000 0.13886643 0.59266514 1.0 Ru Ru23 1 0.00000000 0.86011183 0.40596883 1.0