# generated using pymatgen data_LiZr3(Co5P3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56868421 _cell_length_b 10.03702058 _cell_length_c 11.53067620 _cell_angle_alpha 89.65680293 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiZr3(Co5P3)4 _chemical_formula_sum 'Li1 Zr3 Co20 P12' _cell_volume 413.00938442 _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 0.25000000 0.57588648 0.69934795 1.0 Zr Zr1 1 0.25000000 0.92071045 0.20371214 1.0 Zr Zr2 1 0.75000000 0.42085488 0.29632425 1.0 Zr Zr3 1 0.75000000 0.07985555 0.79817399 1.0 Co Co4 1 0.25000000 0.71489771 0.99152974 1.0 Co Co5 1 0.25000000 0.78548170 0.49204418 1.0 Co Co6 1 0.75000000 0.28927339 0.01087469 1.0 Co Co7 1 0.75000000 0.21450747 0.51000576 1.0 Co Co8 1 0.25000000 0.40539179 0.48487885 1.0 Co Co9 1 0.25000000 0.09448465 0.98658502 1.0 Co Co10 1 0.75000000 0.59147003 0.51314728 1.0 Co Co11 1 0.75000000 0.91050733 0.01545664 1.0 Co Co12 1 0.25000000 0.22514360 0.17650167 1.0 Co Co13 1 0.25000000 0.27525764 0.67455094 1.0 Co Co14 1 0.75000000 0.77967025 0.82689775 1.0 Co Co15 1 0.75000000 0.72437060 0.32214230 1.0 Co Co16 1 0.25000000 0.87915556 0.70128763 1.0 Co Co17 1 0.25000000 0.61832734 0.19968018 1.0 Co Co18 1 0.75000000 0.11828867 0.30049355 1.0 Co Co19 1 0.75000000 0.37975276 0.79901443 1.0 Co Co20 1 0.25000000 0.46669473 0.92948424 1.0 Co Co21 1 0.25000000 0.03408183 0.43315593 1.0 Co Co22 1 0.75000000 0.53652022 0.06466572 1.0 Co Co23 1 0.75000000 0.96115915 0.56982260 1.0 P P24 1 0.25000000 0.42302545 0.11307842 1.0 P P25 1 0.25000000 0.07603826 0.61692223 1.0 P P26 1 0.75000000 0.57863539 0.87729086 1.0 P P27 1 0.75000000 0.92011128 0.38633183 1.0 P P28 1 0.25000000 0.26752431 0.86525891 1.0 P P29 1 0.25000000 0.23420554 0.36786540 1.0 P P30 1 0.75000000 0.73477332 0.13174264 1.0 P P31 1 0.75000000 0.75730323 0.63778389 1.0 P P32 1 0.25000000 0.60044996 0.39177620 1.0 P P33 1 0.25000000 0.90022008 0.89130990 1.0 P P34 1 0.75000000 0.40380450 0.61076700 1.0 P P35 1 0.75000000 0.10216689 0.11009526 1.0