# generated using pymatgen data_Th3Co8P6W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83095033 _cell_length_b 10.65555690 _cell_length_c 12.37666849 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Co8P6W _chemical_formula_sum 'Th6 Co16 P12 W2' _cell_volume 505.22686078 _cell_formula_units_Z 2 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 0.00000000 0.50000000 0.52140980 1.0 Th Th1 1 0.50000000 0.00000000 0.47859020 1.0 Th Th2 1 0.50000000 0.81747803 0.20648220 1.0 Th Th3 1 0.50000000 0.18252197 0.20648220 1.0 Th Th4 1 0.00000000 0.68252197 0.79351780 1.0 Th Th5 1 0.00000000 0.31747803 0.79351780 1.0 Co Co6 1 0.50000000 0.50000000 0.70194593 1.0 Co Co7 1 0.00000000 0.00000000 0.29805407 1.0 Co Co8 1 0.00000000 0.50000000 0.98476007 1.0 Co Co9 1 0.50000000 0.00000000 0.01523993 1.0 Co Co10 1 0.50000000 0.33244203 0.99153654 1.0 Co Co11 1 0.50000000 0.66755797 0.99153654 1.0 Co Co12 1 0.00000000 0.16755797 0.00846346 1.0 Co Co13 1 0.00000000 0.83244203 0.00846346 1.0 Co Co14 1 0.50000000 0.30107076 0.42689034 1.0 Co Co15 1 0.50000000 0.69892924 0.42689034 1.0 Co Co16 1 0.00000000 0.19892924 0.57310966 1.0 Co Co17 1 0.00000000 0.80107076 0.57310966 1.0 Co Co18 1 0.50000000 0.88180983 0.71576506 1.0 Co Co19 1 0.50000000 0.11819017 0.71576506 1.0 Co Co20 1 0.00000000 0.61819017 0.28423494 1.0 Co Co21 1 0.00000000 0.38180983 0.28423494 1.0 P P22 1 0.50000000 0.50000000 0.88657675 1.0 P P23 1 0.00000000 0.00000000 0.11342325 1.0 P P24 1 0.50000000 0.50000000 0.34005268 1.0 P P25 1 0.00000000 0.00000000 0.65994732 1.0 P P26 1 0.50000000 0.30322128 0.61156179 1.0 P P27 1 0.50000000 0.69677872 0.61156179 1.0 P P28 1 0.00000000 0.19677872 0.38843821 1.0 P P29 1 0.00000000 0.80322128 0.38843821 1.0 P P30 1 0.50000000 0.84755840 0.89910074 1.0 P P31 1 0.50000000 0.15244160 0.89910074 1.0 P P32 1 0.00000000 0.65244160 0.10089926 1.0 P P33 1 0.00000000 0.34755840 0.10089926 1.0 W W34 1 0.50000000 0.50000000 0.14790778 1.0 W W35 1 0.00000000 0.00000000 0.85209222 1.0