# generated using pymatgen data_Er3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94628896 _cell_length_b 7.94628896 _cell_length_c 15.70715406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er3C4 _chemical_formula_sum 'Er30 C40' _cell_volume 991.80481175 _cell_formula_units_Z 10 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 0.50000000 1.0 Er Er1 1 0.00000000 -0.00000000 0.00000000 1.0 Er Er2 1 0.50000000 0.50000000 0.18725472 1.0 Er Er3 1 0.00000000 -0.00000000 0.68725472 1.0 Er Er4 1 0.50000000 0.50000000 0.81274528 1.0 Er Er5 1 0.00000000 -0.00000000 0.31274528 1.0 Er Er6 1 0.70278635 0.90455077 0.50000000 1.0 Er Er7 1 0.29721265 0.09544923 0.50000000 1.0 Er Er8 1 0.79721365 0.40455077 0.00000000 1.0 Er Er9 1 0.20278635 0.59544923 0.00000000 1.0 Er Er10 1 0.90455077 0.29721265 0.50000000 1.0 Er Er11 1 0.09544923 0.70278635 0.50000000 1.0 Er Er12 1 0.40455077 0.20278635 0.00000000 1.0 Er Er13 1 0.59544923 0.79721365 0.00000000 1.0 Er Er14 1 0.78815081 0.60008937 0.35429231 1.0 Er Er15 1 0.21184919 0.39991063 0.35429231 1.0 Er Er16 1 0.71184919 0.10008937 0.85429231 1.0 Er Er17 1 0.28815081 0.89991063 0.85429231 1.0 Er Er18 1 0.60008937 0.21184919 0.35429231 1.0 Er Er19 1 0.39991063 0.78815081 0.35429231 1.0 Er Er20 1 0.10008937 0.28815081 0.85429231 1.0 Er Er21 1 0.89991063 0.71184919 0.85429231 1.0 Er Er22 1 0.21184919 0.39991063 0.64570769 1.0 Er Er23 1 0.78815081 0.60008937 0.64570769 1.0 Er Er24 1 0.28815081 0.89991063 0.14570769 1.0 Er Er25 1 0.71184919 0.10008937 0.14570769 1.0 Er Er26 1 0.39991063 0.78815081 0.64570769 1.0 Er Er27 1 0.60008937 0.21184919 0.64570769 1.0 Er Er28 1 0.89991063 0.71184919 0.14570769 1.0 Er Er29 1 0.10008937 0.28815081 0.14570769 1.0 C C30 1 0.50000000 0.50000000 0.95862300 1.0 C C31 1 0.00000000 -0.00000000 0.45862300 1.0 C C32 1 0.50000000 0.50000000 0.04137700 1.0 C C33 1 0.00000000 -0.00000000 0.54137700 1.0 C C34 1 0.50000000 0.50000000 0.34308238 1.0 C C35 1 0.00000000 -0.00000000 0.84308238 1.0 C C36 1 0.50000000 0.50000000 0.65691762 1.0 C C37 1 0.00000000 -0.00000000 0.15691762 1.0 C C38 1 0.60605116 0.19601293 0.50000000 1.0 C C39 1 0.39394884 0.80398707 0.50000000 1.0 C C40 1 0.89394884 0.69601293 0.00000000 1.0 C C41 1 0.10605116 0.30398707 0.00000000 1.0 C C42 1 0.19601293 0.39394884 0.50000000 1.0 C C43 1 0.80398707 0.60605116 0.50000000 1.0 C C44 1 0.69601293 0.10605116 0.00000000 1.0 C C45 1 0.30398707 0.89394884 0.00000000 1.0 C C46 1 0.69359636 0.90163248 0.32805377 1.0 C C47 1 0.30640364 0.09836752 0.32805377 1.0 C C48 1 0.80640364 0.40163248 0.82805377 1.0 C C49 1 0.19359636 0.59836752 0.82805377 1.0 C C50 1 0.90163248 0.30640364 0.32805377 1.0 C C51 1 0.09836752 0.69359636 0.32805377 1.0 C C52 1 0.40163248 0.19359636 0.82805377 1.0 C C53 1 0.59836752 0.80640364 0.82805377 1.0 C C54 1 0.30640364 0.09836752 0.67194623 1.0 C C55 1 0.69359636 0.90163248 0.67194623 1.0 C C56 1 0.19359636 0.59836752 0.17194623 1.0 C C57 1 0.80640364 0.40163248 0.17194623 1.0 C C58 1 0.09836752 0.69359636 0.67194623 1.0 C C59 1 0.90163248 0.30640364 0.67194623 1.0 C C60 1 0.59836752 0.80640364 0.17194623 1.0 C C61 1 0.40163248 0.19359636 0.17194623 1.0 C C62 1 0.64992141 0.85007859 0.25000000 1.0 C C63 1 0.35007859 0.14992141 0.25000000 1.0 C C64 1 0.85007859 0.35007859 0.75000000 1.0 C C65 1 0.14992141 0.64992141 0.75000000 1.0 C C66 1 0.85007859 0.35007859 0.25000000 1.0 C C67 1 0.14992141 0.64992141 0.25000000 1.0 C C68 1 0.35007859 0.14992141 0.75000000 1.0 C C69 1 0.64992141 0.85007859 0.75000000 1.0