# generated using pymatgen data_Tm2Th(Co3P2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71704668 _cell_length_b 10.40776457 _cell_length_c 12.13774561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Th(Co3P2)3 _chemical_formula_sum 'Tm4 Th2 Co18 P12' _cell_volume 469.56260769 _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 Tm Tm0 1 0.50000000 0.81591235 0.20472010 1.0 Tm Tm1 1 0.50000000 0.18408765 0.20472010 1.0 Tm Tm2 1 0.00000000 0.68408765 0.79527990 1.0 Tm Tm3 1 0.00000000 0.31591235 0.79527990 1.0 Th Th4 1 0.00000000 0.50000000 0.52355387 1.0 Th Th5 1 0.50000000 0.00000000 0.47644613 1.0 Co Co6 1 0.50000000 0.50000000 0.15079892 1.0 Co Co7 1 0.00000000 0.00000000 0.84920108 1.0 Co Co8 1 0.50000000 0.50000000 0.70371036 1.0 Co Co9 1 0.00000000 0.00000000 0.29628964 1.0 Co Co10 1 0.00000000 0.50000000 0.98477796 1.0 Co Co11 1 0.50000000 0.00000000 0.01522204 1.0 Co Co12 1 0.50000000 0.33335955 0.99429408 1.0 Co Co13 1 0.50000000 0.66664045 0.99429408 1.0 Co Co14 1 0.00000000 0.16664045 0.00570592 1.0 Co Co15 1 0.00000000 0.83335955 0.00570592 1.0 Co Co16 1 0.50000000 0.29981308 0.42756099 1.0 Co Co17 1 0.50000000 0.70018692 0.42756099 1.0 Co Co18 1 0.00000000 0.20018692 0.57243901 1.0 Co Co19 1 0.00000000 0.79981308 0.57243901 1.0 Co Co20 1 0.50000000 0.88141794 0.71676909 1.0 Co Co21 1 0.50000000 0.11858206 0.71676909 1.0 Co Co22 1 0.00000000 0.61858206 0.28323091 1.0 Co Co23 1 0.00000000 0.38141794 0.28323091 1.0 P P24 1 0.50000000 0.50000000 0.88064850 1.0 P P25 1 0.00000000 0.00000000 0.11935150 1.0 P P26 1 0.50000000 0.50000000 0.33647661 1.0 P P27 1 0.00000000 0.00000000 0.66352339 1.0 P P28 1 0.50000000 0.30415402 0.61865747 1.0 P P29 1 0.50000000 0.69584598 0.61865747 1.0 P P30 1 0.00000000 0.19584598 0.38134253 1.0 P P31 1 0.00000000 0.80415402 0.38134253 1.0 P P32 1 0.50000000 0.84547776 0.89573759 1.0 P P33 1 0.50000000 0.15452224 0.89573759 1.0 P P34 1 0.00000000 0.65452224 0.10426241 1.0 P P35 1 0.00000000 0.34547776 0.10426241 1.0