# generated using pymatgen data_Hf4Co7P12Ru13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73097496 _cell_length_b 10.43862594 _cell_length_c 11.95452878 _cell_angle_alpha 90.12852299 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Co7P12Ru13 _chemical_formula_sum 'Hf4 Co7 P12 Ru13' _cell_volume 465.58291839 _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 Hf Hf0 1 0.25000000 0.58201043 0.70719511 1.0 Hf Hf1 1 0.25000000 0.91696910 0.20623141 1.0 Hf Hf2 1 0.75000000 0.41879400 0.29455545 1.0 Hf Hf3 1 0.75000000 0.08287383 0.79589088 1.0 Co Co4 1 0.25000000 0.60917232 0.20055244 1.0 Co Co5 1 0.75000000 0.11115361 0.29867732 1.0 Co Co6 1 0.75000000 0.38696120 0.80038868 1.0 Co Co7 1 0.25000000 0.46054148 0.93252694 1.0 Co Co8 1 0.25000000 0.03958589 0.42818251 1.0 Co Co9 1 0.75000000 0.53596089 0.06938574 1.0 Co Co10 1 0.75000000 0.96454453 0.56115944 1.0 P P11 1 0.25000000 0.42709484 0.11434453 1.0 P P12 1 0.25000000 0.07836435 0.60891361 1.0 P P13 1 0.75000000 0.56789386 0.88710068 1.0 P P14 1 0.75000000 0.92747657 0.38333236 1.0 P P15 1 0.25000000 0.26691151 0.86903798 1.0 P P16 1 0.25000000 0.23351834 0.36875931 1.0 P P17 1 0.75000000 0.73004002 0.13093643 1.0 P P18 1 0.75000000 0.76929495 0.63138899 1.0 P P19 1 0.25000000 0.59897271 0.38434288 1.0 P P20 1 0.25000000 0.90050529 0.89059355 1.0 P P21 1 0.75000000 0.40269867 0.61557895 1.0 P P22 1 0.75000000 0.09860777 0.11564850 1.0 Ru Ru23 1 0.25000000 0.70730857 0.99375272 1.0 Ru Ru24 1 0.25000000 0.79177877 0.48481888 1.0 Ru Ru25 1 0.75000000 0.29055583 0.01083458 1.0 Ru Ru26 1 0.75000000 0.21119029 0.50792460 1.0 Ru Ru27 1 0.25000000 0.40805538 0.48053758 1.0 Ru Ru28 1 0.25000000 0.09408703 0.98331401 1.0 Ru Ru29 1 0.75000000 0.59484756 0.51981185 1.0 Ru Ru30 1 0.75000000 0.90550482 0.02110609 1.0 Ru Ru31 1 0.25000000 0.22822014 0.18104473 1.0 Ru Ru32 1 0.25000000 0.27528146 0.67987650 1.0 Ru Ru33 1 0.75000000 0.76564275 0.82353696 1.0 Ru Ru34 1 0.75000000 0.72659560 0.31837167 1.0 Ru Ru35 1 0.25000000 0.89098563 0.70034313 1.0