# generated using pymatgen data_Th2Co12SiP6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.00866478 _cell_length_b 9.00866449 _cell_length_c 3.72942737 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999390 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Co12SiP6 _chemical_formula_sum 'Th2 Co12 Si1 P6' _cell_volume 262.11607255 _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 Th Th0 1 0.33333300 0.66666700 0.00000000 1.0 Th Th1 1 0.66666700 0.33333300 0.50000000 1.0 Co Co2 1 0.42721783 0.06287174 0.00000000 1.0 Co Co3 1 0.93712826 0.36434509 0.00000000 1.0 Co Co4 1 0.63565491 0.57278217 0.00000000 1.0 Co Co5 1 0.38311037 0.43141989 0.50000000 1.0 Co Co6 1 0.56858011 0.95168948 0.50000000 1.0 Co Co7 1 0.04831052 0.61688963 0.50000000 1.0 Co Co8 1 0.15276367 0.28003914 0.00000000 1.0 Co Co9 1 0.71996086 0.87272352 0.00000000 1.0 Co Co10 1 0.12727648 0.84723633 0.00000000 1.0 Co Co11 1 0.20768082 0.09549941 0.50000000 1.0 Co Co12 1 0.90450059 0.11218241 0.50000000 1.0 Co Co13 1 0.88781759 0.79231918 0.50000000 1.0 Si Si14 1 0.00000000 0.00000000 0.00000000 1.0 P P15 1 0.10238827 0.39417275 0.50000000 1.0 P P16 1 0.60582725 0.70821751 0.50000000 1.0 P P17 1 0.29178249 0.89761173 0.50000000 1.0 P P18 1 0.40284775 0.30328490 0.00000000 1.0 P P19 1 0.69671510 0.09956386 0.00000000 1.0 P P20 1 0.90043614 0.59715225 0.00000000 1.0