# generated using pymatgen data_ErSc(Ni2As)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09804645 _cell_length_b 7.09804645 _cell_length_c 3.73087306 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.67181204 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErSc(Ni2As)4 _chemical_formula_sum 'Er1 Sc1 Ni8 As4' _cell_volume 187.96674598 _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 Er Er0 1 0.50000000 0.50000000 0.00000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni2 1 0.08875473 0.34653149 0.00000000 1.0 Ni Ni3 1 0.84513819 0.41074701 0.50000000 1.0 Ni Ni4 1 0.15486181 0.58925299 0.50000000 1.0 Ni Ni5 1 0.91124527 0.65346851 0.00000000 1.0 Ni Ni6 1 0.41074701 0.84513819 0.50000000 1.0 Ni Ni7 1 0.58925299 0.15486181 0.50000000 1.0 Ni Ni8 1 0.34653149 0.08875473 0.00000000 1.0 Ni Ni9 1 0.65346851 0.91124527 0.00000000 1.0 As As10 1 0.78754931 0.21245069 0.00000000 1.0 As As11 1 0.72336933 0.72336933 0.50000000 1.0 As As12 1 0.27663067 0.27663067 0.50000000 1.0 As As13 1 0.21245069 0.78754931 0.00000000 1.0