# generated using pymatgen data_Zr6Co16Ni4P13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.28700669 _cell_length_b 12.28700658 _cell_length_c 3.60254079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999767 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6Co16Ni4P13 _chemical_formula_sum 'Zr6 Co16 Ni4 P13' _cell_volume 471.01174234 _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 0.81068360 0.28563963 0.50000000 1.0 Zr Zr1 1 0.71436037 0.52504397 0.50000000 1.0 Zr Zr2 1 0.47495603 0.18931640 0.50000000 1.0 Zr Zr3 1 0.19464974 0.71877571 0.00000000 1.0 Zr Zr4 1 0.28122429 0.47587403 0.00000000 1.0 Zr Zr5 1 0.52412597 0.80535026 0.00000000 1.0 Co Co6 1 0.41925455 0.97932654 0.00000000 1.0 Co Co7 1 0.02067346 0.43992802 0.00000000 1.0 Co Co8 1 0.58365166 0.01840915 0.50000000 1.0 Co Co9 1 0.56007198 0.58074545 0.00000000 1.0 Co Co10 1 0.98159085 0.56524351 0.50000000 1.0 Co Co11 1 0.92884258 0.07668430 0.50000000 1.0 Co Co12 1 0.14784273 0.07115742 0.50000000 1.0 Co Co13 1 0.92331570 0.85215727 0.50000000 1.0 Co Co14 1 0.09662280 0.89615906 0.00000000 1.0 Co Co15 1 0.79953627 0.90337720 0.00000000 1.0 Co Co16 1 0.10384094 0.20046373 0.00000000 1.0 Co Co17 1 0.33333300 0.66666700 0.50000000 1.0 Co Co18 1 0.67681810 0.74559100 0.50000000 1.0 Co Co19 1 0.25440900 0.93122710 0.50000000 1.0 Co Co20 1 0.43475649 0.41634834 0.50000000 1.0 Co Co21 1 0.06877290 0.32318190 0.50000000 1.0 Ni Ni22 1 0.66666700 0.33333300 0.00000000 1.0 Ni Ni23 1 0.91880449 0.67512033 0.00000000 1.0 Ni Ni24 1 0.32487967 0.24368315 0.00000000 1.0 Ni Ni25 1 0.75631685 0.08119551 0.00000000 1.0 P P26 1 0.00000000 0.00000000 0.00000000 1.0 P P27 1 0.22966421 0.28415270 0.50000000 1.0 P P28 1 0.71584730 0.94550951 0.50000000 1.0 P P29 1 0.05449049 0.77033579 0.50000000 1.0 P P30 1 0.76356182 0.71298047 0.00000000 1.0 P P31 1 0.28701953 0.05058036 0.00000000 1.0 P P32 1 0.47261896 0.61255458 0.50000000 1.0 P P33 1 0.38744542 0.86006439 0.50000000 1.0 P P34 1 0.86167645 0.47547989 0.00000000 1.0 P P35 1 0.52452011 0.38619655 0.00000000 1.0 P P36 1 0.61380345 0.13832355 0.00000000 1.0 P P37 1 0.94941964 0.23643818 0.00000000 1.0 P P38 1 0.13993561 0.52738104 0.50000000 1.0