# generated using pymatgen data_Er2Sc2Ni13C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.22023628 _cell_length_b 8.22023536 _cell_length_c 3.78066140 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.85899916 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Sc2Ni13C4 _chemical_formula_sum 'Er2 Sc2 Ni13 C4' _cell_volume 255.43918857 _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 0.34776661 0.34776661 0.50000000 1.0 Er Er1 1 0.65223339 0.65223339 0.50000000 1.0 Sc Sc2 1 0.81599471 0.18400529 0.50000000 1.0 Sc Sc3 1 0.18400529 0.81599471 0.50000000 1.0 Ni Ni4 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni5 1 0.21348312 0.57559865 0.00000000 1.0 Ni Ni6 1 0.78651688 0.42440135 0.00000000 1.0 Ni Ni7 1 0.42440135 0.78651688 0.00000000 1.0 Ni Ni8 1 0.57559865 0.21348312 0.00000000 1.0 Ni Ni9 1 0.00000000 0.50000000 0.50000000 1.0 Ni Ni10 1 0.50000000 0.00000000 0.50000000 1.0 Ni Ni11 1 0.07241234 0.28868912 0.00000000 1.0 Ni Ni12 1 0.92758766 0.71131088 0.00000000 1.0 Ni Ni13 1 0.71131088 0.92758766 0.00000000 1.0 Ni Ni14 1 0.28868912 0.07241234 0.00000000 1.0 Ni Ni15 1 0.12040565 0.12040565 0.50000000 1.0 Ni Ni16 1 0.87959435 0.87959435 0.50000000 1.0 C C17 1 0.00000000 0.50000000 0.00000000 1.0 C C18 1 0.50000000 0.00000000 0.00000000 1.0 C C19 1 0.44207653 0.55792347 0.00000000 1.0 C C20 1 0.55792347 0.44207653 0.00000000 1.0