# generated using pymatgen data_LiSm2(Co3P2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69683704 _cell_length_b 10.29293377 _cell_length_c 11.77382212 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSm2(Co3P2)3 _chemical_formula_sum 'Li2 Sm4 Co18 P12' _cell_volume 448.00922360 _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 Li Li0 1 0.25000000 0.70071102 0.99218736 1.0 Li Li1 1 0.25000000 0.79928898 0.49218736 1.0 Sm Sm2 1 0.25000000 0.57952405 0.69926261 1.0 Sm Sm3 1 0.25000000 0.92047595 0.19926261 1.0 Sm Sm4 1 0.75000000 0.41790893 0.29782408 1.0 Sm Sm5 1 0.75000000 0.08209107 0.79782408 1.0 Co Co6 1 0.75000000 0.29184688 0.00889685 1.0 Co Co7 1 0.75000000 0.20815312 0.50889685 1.0 Co Co8 1 0.25000000 0.40181924 0.48838951 1.0 Co Co9 1 0.25000000 0.09818076 0.98838951 1.0 Co Co10 1 0.75000000 0.59041591 0.51176578 1.0 Co Co11 1 0.75000000 0.90958409 0.01176578 1.0 Co Co12 1 0.25000000 0.22358157 0.17347125 1.0 Co Co13 1 0.25000000 0.27641843 0.67347125 1.0 Co Co14 1 0.75000000 0.77962630 0.82802873 1.0 Co Co15 1 0.75000000 0.72037370 0.32802873 1.0 Co Co16 1 0.25000000 0.88115026 0.69833254 1.0 Co Co17 1 0.25000000 0.61884974 0.19833254 1.0 Co Co18 1 0.75000000 0.12066797 0.30175525 1.0 Co Co19 1 0.75000000 0.37933203 0.80175525 1.0 Co Co20 1 0.25000000 0.46509642 0.93172494 1.0 Co Co21 1 0.25000000 0.03490358 0.43172494 1.0 Co Co22 1 0.75000000 0.53158688 0.06558795 1.0 Co Co23 1 0.75000000 0.96841312 0.56558795 1.0 P P24 1 0.25000000 0.42293132 0.11071332 1.0 P P25 1 0.25000000 0.07706868 0.61071332 1.0 P P26 1 0.75000000 0.57619561 0.88528997 1.0 P P27 1 0.75000000 0.92380439 0.38528997 1.0 P P28 1 0.25000000 0.27260361 0.86511911 1.0 P P29 1 0.25000000 0.22739639 0.36511911 1.0 P P30 1 0.75000000 0.72422046 0.13966581 1.0 P P31 1 0.75000000 0.77577954 0.63966581 1.0 P P32 1 0.25000000 0.60082831 0.39603165 1.0 P P33 1 0.25000000 0.89917169 0.89603165 1.0 P P34 1 0.75000000 0.39254292 0.60595331 1.0 P P35 1 0.75000000 0.10745708 0.10595331 1.0