# generated using pymatgen data_ScAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67078758 _cell_length_b 5.67081614 _cell_length_c 5.67081524 _cell_angle_alpha 106.99922378 _cell_angle_beta 107.00145298 _cell_angle_gamma 114.53499435 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScAsO4 _chemical_formula_sum 'Sc2 As2 O8' _cell_volume 139.55219608 _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 Sc Sc0 1 0.12499611 0.87499153 0.25000459 1.0 Sc Sc1 1 0.87499983 0.12500621 0.74999562 1.0 As As2 1 0.37503016 0.62502489 0.75000626 1.0 As As3 1 0.62493665 0.37496035 0.24997529 1.0 O O4 1 0.19093182 0.62776584 0.93685801 1.0 O O5 1 0.19093182 0.25407380 0.56316597 1.0 O O6 1 0.25406627 0.19091044 0.06315683 1.0 O O7 1 0.80907252 0.37224123 0.06314548 1.0 O O8 1 0.62775657 0.19092287 0.43683470 1.0 O O9 1 0.74594961 0.80909979 0.93684982 1.0 O O10 1 0.80907252 0.74592704 0.43683129 1.0 O O11 1 0.37225613 0.80907801 0.56317712 1.0