# generated using pymatgen data_Th3Ti(Co4P3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.81497752 _cell_length_b 10.64136163 _cell_length_c 12.45696266 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th3Ti(Co4P3)2 _chemical_formula_sum 'Th6 Ti2 Co16 P12' _cell_volume 505.70977426 _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 0.52233077 1.0 Th Th1 1 0.50000000 0.00000000 0.47766923 1.0 Th Th2 1 0.50000000 0.81780704 0.20721458 1.0 Th Th3 1 0.50000000 0.18219296 0.20721458 1.0 Th Th4 1 0.00000000 0.68219296 0.79278542 1.0 Th Th5 1 0.00000000 0.31780704 0.79278542 1.0 Ti Ti6 1 0.50000000 0.50000000 0.14553695 1.0 Ti Ti7 1 0.00000000 0.00000000 0.85446305 1.0 Co Co8 1 0.50000000 0.50000000 0.70284225 1.0 Co Co9 1 0.00000000 0.00000000 0.29715775 1.0 Co Co10 1 0.00000000 0.50000000 0.98545475 1.0 Co Co11 1 0.50000000 0.00000000 0.01454525 1.0 Co Co12 1 0.50000000 0.33239521 0.99328490 1.0 Co Co13 1 0.50000000 0.66760479 0.99328490 1.0 Co Co14 1 0.00000000 0.16760479 0.00671510 1.0 Co Co15 1 0.00000000 0.83239521 0.00671510 1.0 Co Co16 1 0.50000000 0.30152765 0.42748518 1.0 Co Co17 1 0.50000000 0.69847235 0.42748518 1.0 Co Co18 1 0.00000000 0.19847235 0.57251482 1.0 Co Co19 1 0.00000000 0.80152765 0.57251482 1.0 Co Co20 1 0.50000000 0.88156616 0.71362022 1.0 Co Co21 1 0.50000000 0.11843384 0.71362022 1.0 Co Co22 1 0.00000000 0.61843384 0.28637978 1.0 Co Co23 1 0.00000000 0.38156616 0.28637978 1.0 P P24 1 0.50000000 0.50000000 0.88739850 1.0 P P25 1 0.00000000 0.00000000 0.11260150 1.0 P P26 1 0.50000000 0.50000000 0.34334557 1.0 P P27 1 0.00000000 0.00000000 0.65665443 1.0 P P28 1 0.50000000 0.30290813 0.61110891 1.0 P P29 1 0.50000000 0.69709187 0.61110891 1.0 P P30 1 0.00000000 0.19709187 0.38889109 1.0 P P31 1 0.00000000 0.80290813 0.38889109 1.0 P P32 1 0.50000000 0.84541353 0.89851080 1.0 P P33 1 0.50000000 0.15458647 0.89851080 1.0 P P34 1 0.00000000 0.65458647 0.10148920 1.0 P P35 1 0.00000000 0.34541353 0.10148920 1.0