# generated using pymatgen data_PrNi9As5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67183923 _cell_length_b 6.67183906 _cell_length_c 11.00247797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000084 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrNi9As5 _chemical_formula_sum 'Pr2 Ni18 As10' _cell_volume 424.14296645 _cell_formula_units_Z 2 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 Pr Pr0 1 0.00000000 0.00000000 0.00000000 1.0 Pr Pr1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.53550665 0.46449335 0.10575930 1.0 Ni Ni3 1 0.07101329 0.53550665 0.60575930 1.0 Ni Ni4 1 0.46449335 0.92898671 0.60575930 1.0 Ni Ni5 1 0.53550665 0.07101329 0.10575930 1.0 Ni Ni6 1 0.92898671 0.46449335 0.10575930 1.0 Ni Ni7 1 0.07101329 0.53550665 0.89424070 1.0 Ni Ni8 1 0.46449335 0.92898671 0.89424070 1.0 Ni Ni9 1 0.46449335 0.53550665 0.60575930 1.0 Ni Ni10 1 0.46449335 0.53550665 0.89424070 1.0 Ni Ni11 1 0.53550665 0.46449335 0.39424070 1.0 Ni Ni12 1 0.92898671 0.46449335 0.39424070 1.0 Ni Ni13 1 0.53550665 0.07101329 0.39424070 1.0 Ni Ni14 1 0.20842885 0.79157115 0.25000000 1.0 Ni Ni15 1 0.41685771 0.20842885 0.75000000 1.0 Ni Ni16 1 0.79157115 0.58314229 0.75000000 1.0 Ni Ni17 1 0.20842885 0.41685771 0.25000000 1.0 Ni Ni18 1 0.58314229 0.79157115 0.25000000 1.0 Ni Ni19 1 0.79157115 0.20842885 0.75000000 1.0 As As20 1 0.82987833 0.17012167 0.25000000 1.0 As As21 1 0.65975566 0.82987833 0.75000000 1.0 As As22 1 0.17012167 0.34024434 0.75000000 1.0 As As23 1 0.82987833 0.65975566 0.25000000 1.0 As As24 1 0.34024434 0.17012167 0.25000000 1.0 As As25 1 0.17012167 0.82987833 0.75000000 1.0 As As26 1 0.33333300 0.66666700 0.06112636 1.0 As As27 1 0.66666700 0.33333300 0.56112636 1.0 As As28 1 0.66666700 0.33333300 0.93887364 1.0 As As29 1 0.33333300 0.66666700 0.43887364 1.0