# generated using pymatgen data_Zr5CoAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72245001 _cell_length_b 10.49969047 _cell_length_c 17.57961537 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5CoAs3 _chemical_formula_sum 'Zr20 Co4 As12' _cell_volume 687.09175895 _cell_formula_units_Z 4 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 0.12168458 0.47740731 1.0 Zr Zr1 1 0.75000000 0.87831542 0.52259269 1.0 Zr Zr2 1 0.75000000 0.62168458 0.02259269 1.0 Zr Zr3 1 0.25000000 0.37831542 0.97740731 1.0 Zr Zr4 1 0.25000000 0.05746716 0.07642989 1.0 Zr Zr5 1 0.75000000 0.94253284 0.92357011 1.0 Zr Zr6 1 0.75000000 0.55746716 0.42357011 1.0 Zr Zr7 1 0.25000000 0.44253284 0.57642989 1.0 Zr Zr8 1 0.25000000 0.48544454 0.27501410 1.0 Zr Zr9 1 0.75000000 0.51455546 0.72498590 1.0 Zr Zr10 1 0.75000000 0.98544454 0.22498590 1.0 Zr Zr11 1 0.25000000 0.01455546 0.77501410 1.0 Zr Zr12 1 0.25000000 0.81465732 0.36881533 1.0 Zr Zr13 1 0.75000000 0.18534268 0.63118467 1.0 Zr Zr14 1 0.75000000 0.31465732 0.13118467 1.0 Zr Zr15 1 0.25000000 0.68534268 0.86881533 1.0 Zr Zr16 1 0.25000000 0.75748107 0.16692545 1.0 Zr Zr17 1 0.75000000 0.24251893 0.83307455 1.0 Zr Zr18 1 0.75000000 0.25748107 0.33307455 1.0 Zr Zr19 1 0.25000000 0.74251893 0.66692545 1.0 Co Co20 1 0.25000000 0.36689573 0.40735440 1.0 Co Co21 1 0.75000000 0.63310427 0.59264560 1.0 Co Co22 1 0.75000000 0.86689573 0.09264560 1.0 Co Co23 1 0.25000000 0.13310427 0.90735440 1.0 As As24 1 0.25000000 0.81350432 0.00883587 1.0 As As25 1 0.75000000 0.18649568 0.99116413 1.0 As As26 1 0.75000000 0.31350432 0.49116413 1.0 As As27 1 0.25000000 0.68649568 0.50883587 1.0 As As28 1 0.25000000 0.50743270 0.11755873 1.0 As As29 1 0.75000000 0.49256730 0.88244127 1.0 As As30 1 0.75000000 0.00743270 0.38244127 1.0 As As31 1 0.25000000 0.99256730 0.61755873 1.0 As As32 1 0.25000000 0.18672631 0.21848589 1.0 As As33 1 0.75000000 0.81327369 0.78151411 1.0 As As34 1 0.75000000 0.68672631 0.28151411 1.0 As As35 1 0.25000000 0.31327369 0.71848589 1.0