# generated using pymatgen data_ScTa(NbAs)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07231155 _cell_length_b 10.07231155 _cell_length_c 3.50713421 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTa(NbAs)4 _chemical_formula_sum 'Sc2 Ta2 Nb8 As8' _cell_volume 355.80388618 _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 0.00000000 0.50000000 0.50000000 1.0 Sc Sc1 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.50000000 0.50000000 0.50000000 1.0 Ta Ta3 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb4 1 0.14126217 0.81865096 0.50000000 1.0 Nb Nb5 1 0.85873783 0.18134904 0.50000000 1.0 Nb Nb6 1 0.18134904 0.14126217 0.50000000 1.0 Nb Nb7 1 0.81865096 0.85873783 0.50000000 1.0 Nb Nb8 1 0.39326413 0.71545457 0.00000000 1.0 Nb Nb9 1 0.60673587 0.28454543 0.00000000 1.0 Nb Nb10 1 0.28454543 0.39326413 0.00000000 1.0 Nb Nb11 1 0.71545457 0.60673587 0.00000000 1.0 As As12 1 0.24645529 0.58577018 0.50000000 1.0 As As13 1 0.75354471 0.41422982 0.50000000 1.0 As As14 1 0.41422982 0.24645529 0.50000000 1.0 As As15 1 0.58577018 0.75354471 0.50000000 1.0 As As16 1 0.28253723 0.96290864 0.00000000 1.0 As As17 1 0.71746277 0.03709136 0.00000000 1.0 As As18 1 0.03709136 0.28253723 0.00000000 1.0 As As19 1 0.96290864 0.71746277 0.00000000 1.0