# generated using pymatgen data_Th3Mn(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.82250164 _cell_length_b 10.56440742 _cell_length_c 12.47013802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Mn(Co4P3)2 _chemical_formula_sum 'Th6 Mn2 Co16 P12' _cell_volume 503.57490817 _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 0.52080250 1.0 Th Th1 1 0.50000000 0.00000000 0.47919750 1.0 Th Th2 1 0.50000000 0.81497175 0.20814061 1.0 Th Th3 1 0.50000000 0.18502825 0.20814061 1.0 Th Th4 1 0.00000000 0.68502825 0.79185939 1.0 Th Th5 1 0.00000000 0.31497175 0.79185939 1.0 Mn Mn6 1 0.50000000 0.50000000 0.14632605 1.0 Mn Mn7 1 0.00000000 0.00000000 0.85367395 1.0 Co Co8 1 0.50000000 0.50000000 0.70386027 1.0 Co Co9 1 0.00000000 0.00000000 0.29613973 1.0 Co Co10 1 0.00000000 0.50000000 0.98427565 1.0 Co Co11 1 0.50000000 0.00000000 0.01572435 1.0 Co Co12 1 0.50000000 0.33311118 0.99349718 1.0 Co Co13 1 0.50000000 0.66688882 0.99349718 1.0 Co Co14 1 0.00000000 0.16688882 0.00650282 1.0 Co Co15 1 0.00000000 0.83311118 0.00650282 1.0 Co Co16 1 0.50000000 0.30136913 0.42845573 1.0 Co Co17 1 0.50000000 0.69863087 0.42845573 1.0 Co Co18 1 0.00000000 0.19863087 0.57154427 1.0 Co Co19 1 0.00000000 0.80136913 0.57154427 1.0 Co Co20 1 0.50000000 0.88164137 0.71296547 1.0 Co Co21 1 0.50000000 0.11835863 0.71296547 1.0 Co Co22 1 0.00000000 0.61835863 0.28703453 1.0 Co Co23 1 0.00000000 0.38164137 0.28703453 1.0 P P24 1 0.50000000 0.50000000 0.88536545 1.0 P P25 1 0.00000000 0.00000000 0.11463455 1.0 P P26 1 0.50000000 0.50000000 0.34004250 1.0 P P27 1 0.00000000 0.00000000 0.65995750 1.0 P P28 1 0.50000000 0.30320925 0.61099974 1.0 P P29 1 0.50000000 0.69679075 0.61099974 1.0 P P30 1 0.00000000 0.19679075 0.38900026 1.0 P P31 1 0.00000000 0.80320925 0.38900026 1.0 P P32 1 0.50000000 0.84663271 0.89986950 1.0 P P33 1 0.50000000 0.15336729 0.89986950 1.0 P P34 1 0.00000000 0.65336729 0.10013050 1.0 P P35 1 0.00000000 0.34663271 0.10013050 1.0