# generated using pymatgen data_Zr4Co7P12Ru13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75214986 _cell_length_b 10.43934700 _cell_length_c 11.97081052 _cell_angle_alpha 90.11372986 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Co7P12Ru13 _chemical_formula_sum 'Zr4 Co7 P12 Ru13' _cell_volume 468.89565688 _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 Zr Zr0 1 0.25000000 0.58196790 0.70712974 1.0 Zr Zr1 1 0.25000000 0.91680177 0.20599968 1.0 Zr Zr2 1 0.75000000 0.41843542 0.29446681 1.0 Zr Zr3 1 0.75000000 0.08293120 0.79563580 1.0 Co Co4 1 0.25000000 0.61033851 0.20020792 1.0 Co Co5 1 0.75000000 0.11234399 0.29916545 1.0 Co Co6 1 0.75000000 0.38587350 0.80068290 1.0 Co Co7 1 0.25000000 0.46080218 0.93293328 1.0 Co Co8 1 0.25000000 0.03960172 0.42883204 1.0 Co Co9 1 0.75000000 0.53598758 0.06900892 1.0 Co Co10 1 0.75000000 0.96451302 0.56135252 1.0 P P11 1 0.25000000 0.42755783 0.11383661 1.0 P P12 1 0.25000000 0.07754894 0.60876384 1.0 P P13 1 0.75000000 0.56760423 0.88751720 1.0 P P14 1 0.75000000 0.92794825 0.38399828 1.0 P P15 1 0.25000000 0.26795852 0.86908505 1.0 P P16 1 0.25000000 0.23279255 0.36881378 1.0 P P17 1 0.75000000 0.72936336 0.13090469 1.0 P P18 1 0.75000000 0.76981288 0.63150231 1.0 P P19 1 0.25000000 0.60003899 0.38497309 1.0 P P20 1 0.25000000 0.89941676 0.89115808 1.0 P P21 1 0.75000000 0.40151379 0.61470341 1.0 P P22 1 0.75000000 0.09974946 0.11486928 1.0 Ru Ru23 1 0.25000000 0.70707413 0.99365139 1.0 Ru Ru24 1 0.25000000 0.79243598 0.48431229 1.0 Ru Ru25 1 0.75000000 0.29110927 0.01125496 1.0 Ru Ru26 1 0.75000000 0.21082263 0.50812552 1.0 Ru Ru27 1 0.25000000 0.40789259 0.48167446 1.0 Ru Ru28 1 0.25000000 0.09432003 0.98415115 1.0 Ru Ru29 1 0.75000000 0.59519061 0.51852584 1.0 Ru Ru30 1 0.75000000 0.90534274 0.01984640 1.0 Ru Ru31 1 0.25000000 0.22781418 0.18057238 1.0 Ru Ru32 1 0.25000000 0.27519867 0.67934694 1.0 Ru Ru33 1 0.75000000 0.76641956 0.82432829 1.0 Ru Ru34 1 0.75000000 0.72641379 0.31886997 1.0 Ru Ru35 1 0.25000000 0.88906445 0.69980172 1.0