# generated using pymatgen data_Zr20Co(NiAs4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72270272 _cell_length_b 10.46515249 _cell_length_c 17.65220741 _cell_angle_alpha 90.15445985 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr20Co(NiAs4)3 _chemical_formula_sum 'Zr20 Co1 Ni3 As12' _cell_volume 687.70370109 _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 0.12056884 0.47788014 1.0 Zr Zr1 1 0.75000000 0.88000687 0.52239030 1.0 Zr Zr2 1 0.75000000 0.61976842 0.02231700 1.0 Zr Zr3 1 0.25000000 0.37746578 0.97696201 1.0 Zr Zr4 1 0.25000000 0.05950975 0.07781074 1.0 Zr Zr5 1 0.75000000 0.94131591 0.92229317 1.0 Zr Zr6 1 0.75000000 0.56020956 0.42105888 1.0 Zr Zr7 1 0.25000000 0.44023400 0.57911512 1.0 Zr Zr8 1 0.25000000 0.48807420 0.27246503 1.0 Zr Zr9 1 0.75000000 0.51229866 0.72691666 1.0 Zr Zr10 1 0.75000000 0.98879746 0.22686508 1.0 Zr Zr11 1 0.25000000 0.01298277 0.77470700 1.0 Zr Zr12 1 0.25000000 0.81491335 0.36884574 1.0 Zr Zr13 1 0.75000000 0.18547907 0.63204989 1.0 Zr Zr14 1 0.75000000 0.31469530 0.13060511 1.0 Zr Zr15 1 0.25000000 0.68469436 0.86903765 1.0 Zr Zr16 1 0.25000000 0.75764384 0.16768430 1.0 Zr Zr17 1 0.75000000 0.24093306 0.83369201 1.0 Zr Zr18 1 0.75000000 0.25796602 0.33240959 1.0 Zr Zr19 1 0.25000000 0.74166434 0.66768977 1.0 Co Co20 1 0.25000000 0.13148399 0.90821758 1.0 Ni Ni21 1 0.25000000 0.36822687 0.41205425 1.0 Ni Ni22 1 0.75000000 0.63271332 0.58815937 1.0 Ni Ni23 1 0.75000000 0.86764585 0.08805432 1.0 As As24 1 0.25000000 0.81241947 0.00883384 1.0 As As25 1 0.75000000 0.18558115 0.99129770 1.0 As As26 1 0.75000000 0.31383631 0.49163824 1.0 As As27 1 0.25000000 0.68648805 0.50851651 1.0 As As28 1 0.25000000 0.50841708 0.11682909 1.0 As As29 1 0.75000000 0.49205224 0.88278587 1.0 As As30 1 0.75000000 0.00892740 0.38279525 1.0 As As31 1 0.25000000 0.99130762 0.61761709 1.0 As As32 1 0.25000000 0.19038608 0.21965975 1.0 As As33 1 0.75000000 0.80976190 0.78049840 1.0 As As34 1 0.75000000 0.68976274 0.27984924 1.0 As As35 1 0.25000000 0.31176636 0.72040231 1.0