# generated using pymatgen data_ZrSc(Ni2As)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03501839 _cell_length_b 7.03501839 _cell_length_c 3.72264241 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.33455544 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc(Ni2As)4 _chemical_formula_sum 'Zr1 Sc1 Ni8 As4' _cell_volume 184.23595582 _cell_formula_units_Z 1 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 0.50000000 0.50000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.58973646 0.15459488 0.50000000 1.0 Ni Ni3 1 0.41026354 0.84540512 0.50000000 1.0 Ni Ni4 1 0.09033809 0.34502883 0.00000000 1.0 Ni Ni5 1 0.90966191 0.65497117 0.00000000 1.0 Ni Ni6 1 0.15459488 0.58973646 0.50000000 1.0 Ni Ni7 1 0.84540512 0.41026354 0.50000000 1.0 Ni Ni8 1 0.34502883 0.09033809 0.00000000 1.0 Ni Ni9 1 0.65497117 0.90966191 0.00000000 1.0 As As10 1 0.71613852 0.71613852 0.50000000 1.0 As As11 1 0.28386148 0.28386148 0.50000000 1.0 As As12 1 0.21753874 0.78246126 0.00000000 1.0 As As13 1 0.78246126 0.21753874 0.00000000 1.0