# generated using pymatgen data_LiNb4Co19P12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.61177992 _cell_length_b 11.61178000 _cell_length_c 3.54739482 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999977 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNb4Co19P12 _chemical_formula_sum 'Li1 Nb4 Co19 P12' _cell_volume 414.22638199 _cell_formula_units_Z 1 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 0.66666700 0.33333300 0.50000000 1.0 Nb Nb1 1 0.33333300 0.66666700 0.50000000 1.0 Nb Nb2 1 0.18052397 0.99883845 0.00000000 1.0 Nb Nb3 1 0.00116155 0.18168551 0.00000000 1.0 Nb Nb4 1 0.81831449 0.81947603 0.00000000 1.0 Co Co5 1 0.19751486 0.37692610 0.50000000 1.0 Co Co6 1 0.62307390 0.82058876 0.50000000 1.0 Co Co7 1 0.17941124 0.80248514 0.50000000 1.0 Co Co8 1 0.82176456 0.62548865 0.50000000 1.0 Co Co9 1 0.80372409 0.17823544 0.50000000 1.0 Co Co10 1 0.37451135 0.19627591 0.50000000 1.0 Co Co11 1 0.55259883 0.00236968 0.50000000 1.0 Co Co12 1 0.99763032 0.55022915 0.50000000 1.0 Co Co13 1 0.44977085 0.44740117 0.50000000 1.0 Co Co14 1 0.12680900 0.48355138 0.00000000 1.0 Co Co15 1 0.51644862 0.64325661 0.00000000 1.0 Co Co16 1 0.35674339 0.87319100 0.00000000 1.0 Co Co17 1 0.64454412 0.52016133 0.00000000 1.0 Co Co18 1 0.87561721 0.35545588 0.00000000 1.0 Co Co19 1 0.47983867 0.12438279 0.00000000 1.0 Co Co20 1 0.71706405 0.00175062 0.00000000 1.0 Co Co21 1 0.99824938 0.71531343 0.00000000 1.0 Co Co22 1 0.28468657 0.28293595 0.00000000 1.0 Co Co23 1 0.00000000 0.00000000 0.50000000 1.0 P P24 1 0.36100073 0.00061179 0.50000000 1.0 P P25 1 0.99938821 0.36038894 0.50000000 1.0 P P26 1 0.63961106 0.63899927 0.50000000 1.0 P P27 1 0.31656948 0.48350037 0.00000000 1.0 P P28 1 0.51649963 0.83307011 0.00000000 1.0 P P29 1 0.16692989 0.68343052 0.00000000 1.0 P P30 1 0.82797927 0.51183899 0.00000000 1.0 P P31 1 0.68385972 0.17202073 0.00000000 1.0 P P32 1 0.48816101 0.31614028 0.00000000 1.0 P P33 1 0.82292799 0.00024288 0.50000000 1.0 P P34 1 0.99975712 0.82268511 0.50000000 1.0 P P35 1 0.17731489 0.17707201 0.50000000 1.0