# generated using pymatgen data_Li3Co5(P3Ir2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63031096 _cell_length_b 10.73336444 _cell_length_c 11.85379707 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Co5(P3Ir2)2 _chemical_formula_sum 'Li6 Co10 P12 Ir8' _cell_volume 461.88854308 _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 0.00000000 0.50000000 0.52051061 1.0 Li Li1 1 0.50000000 0.00000000 0.47948939 1.0 Li Li2 1 0.50000000 0.82929127 0.19969121 1.0 Li Li3 1 0.50000000 0.17070873 0.19969121 1.0 Li Li4 1 0.00000000 0.67070873 0.80030879 1.0 Li Li5 1 0.00000000 0.32929127 0.80030879 1.0 Co Co6 1 0.00000000 0.50000000 0.98398516 1.0 Co Co7 1 0.50000000 0.00000000 0.01601484 1.0 Co Co8 1 0.50000000 0.88325955 0.71727554 1.0 Co Co9 1 0.50000000 0.11674045 0.71727554 1.0 Co Co10 1 0.00000000 0.61674045 0.28272446 1.0 Co Co11 1 0.00000000 0.38325955 0.28272446 1.0 Co Co12 1 0.50000000 0.33212818 0.98847963 1.0 Co Co13 1 0.50000000 0.66787182 0.98847963 1.0 Co Co14 1 0.00000000 0.16787182 0.01152037 1.0 Co Co15 1 0.00000000 0.83212818 0.01152037 1.0 P P16 1 0.50000000 0.29809590 0.63472374 1.0 P P17 1 0.50000000 0.70190410 0.63472374 1.0 P P18 1 0.00000000 0.20190410 0.36527626 1.0 P P19 1 0.00000000 0.79809590 0.36527626 1.0 P P20 1 0.50000000 0.50000000 0.87892950 1.0 P P21 1 0.00000000 0.00000000 0.12107050 1.0 P P22 1 0.50000000 0.84049960 0.89672500 1.0 P P23 1 0.50000000 0.15950040 0.89672500 1.0 P P24 1 0.00000000 0.65950040 0.10327500 1.0 P P25 1 0.00000000 0.34049960 0.10327500 1.0 P P26 1 0.50000000 0.50000000 0.34307915 1.0 P P27 1 0.00000000 0.00000000 0.65692085 1.0 Ir Ir28 1 0.50000000 0.31303863 0.43466029 1.0 Ir Ir29 1 0.50000000 0.68696137 0.43466029 1.0 Ir Ir30 1 0.00000000 0.18696137 0.56533971 1.0 Ir Ir31 1 0.00000000 0.81303863 0.56533971 1.0 Ir Ir32 1 0.50000000 0.50000000 0.15156798 1.0 Ir Ir33 1 0.00000000 0.00000000 0.84843202 1.0 Ir Ir34 1 0.50000000 0.50000000 0.69039868 1.0 Ir Ir35 1 0.00000000 0.00000000 0.30960132 1.0