# generated using pymatgen data_Sc5As2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19597471 _cell_length_b 8.01143815 _cell_length_c 10.76000490 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5As2P _chemical_formula_sum 'Sc20 As8 P4' _cell_volume 620.31542658 _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 Sc Sc0 1 0.81192054 0.95061578 0.07004847 1.0 Sc Sc1 1 0.31192054 0.04938422 0.42995153 1.0 Sc Sc2 1 0.18807946 0.45061578 0.92995153 1.0 Sc Sc3 1 0.68807946 0.54938422 0.57004847 1.0 Sc Sc4 1 0.18807946 0.04938422 0.92995153 1.0 Sc Sc5 1 0.68807946 0.95061578 0.57004847 1.0 Sc Sc6 1 0.81192054 0.54938422 0.07004847 1.0 Sc Sc7 1 0.31192054 0.45061578 0.42995153 1.0 Sc Sc8 1 0.15771759 0.75000000 0.21460857 1.0 Sc Sc9 1 0.65771759 0.25000000 0.28539143 1.0 Sc Sc10 1 0.84228241 0.25000000 0.78539143 1.0 Sc Sc11 1 0.34228241 0.75000000 0.71460857 1.0 Sc Sc12 1 0.46672562 0.75000000 0.00232703 1.0 Sc Sc13 1 0.96672562 0.25000000 0.49767297 1.0 Sc Sc14 1 0.53327438 0.25000000 0.99767297 1.0 Sc Sc15 1 0.03327438 0.75000000 0.50232703 1.0 Sc Sc16 1 0.64066822 0.75000000 0.29515045 1.0 Sc Sc17 1 0.14066822 0.25000000 0.20484955 1.0 Sc Sc18 1 0.35933178 0.25000000 0.70484955 1.0 Sc Sc19 1 0.85933178 0.75000000 0.79515045 1.0 As As20 1 0.93156910 0.50939618 0.32805986 1.0 As As21 1 0.43156910 0.49060382 0.17194014 1.0 As As22 1 0.06843090 0.00939618 0.67194014 1.0 As As23 1 0.56843090 0.99060382 0.82805986 1.0 As As24 1 0.06843090 0.49060382 0.67194014 1.0 As As25 1 0.56843090 0.50939618 0.82805986 1.0 As As26 1 0.93156910 0.99060382 0.32805986 1.0 As As27 1 0.43156910 0.00939618 0.17194014 1.0 P P28 1 0.42494687 0.75000000 0.48521017 1.0 P P29 1 0.92494687 0.25000000 0.01478983 1.0 P P30 1 0.57505313 0.25000000 0.51478983 1.0 P P31 1 0.07505313 0.75000000 0.98521017 1.0