# generated using pymatgen data_Er2Fe14C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70963000 _cell_length_b 8.70963000 _cell_length_c 11.66237900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er2Fe14C _chemical_formula_sum 'Er8 Fe56 C4' _cell_volume 884.68071959 _cell_formula_units_Z 4 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 0.85607800 0.14392200 0.00000000 1.0 Er Er1 1 0.14392200 0.85607800 0.00000000 1.0 Er Er2 1 0.64392200 0.64392200 0.50000000 1.0 Er Er3 1 0.75868000 0.24132000 0.50000000 1.0 Er Er4 1 0.25868000 0.25868000 0.00000000 1.0 Er Er5 1 0.24132000 0.75868000 0.50000000 1.0 Er Er6 1 0.35607800 0.35607800 0.50000000 1.0 Er Er7 1 0.74132000 0.74132000 0.00000000 1.0 Fe Fe8 1 0.72529000 0.93589500 0.62012000 1.0 Fe Fe9 1 0.03572900 0.35762200 0.17498500 1.0 Fe Fe10 1 0.03572900 0.35762200 0.82501500 1.0 Fe Fe11 1 0.53572900 0.14237800 0.32501500 1.0 Fe Fe12 1 0.35762200 0.03572900 0.17498500 1.0 Fe Fe13 1 0.43589500 0.77471000 0.12012000 1.0 Fe Fe14 1 0.64237800 0.96427100 0.17498500 1.0 Fe Fe15 1 0.50000000 0.50000000 0.89189400 1.0 Fe Fe16 1 0.77471000 0.43589500 0.12012000 1.0 Fe Fe17 1 0.27471000 0.06410500 0.37988000 1.0 Fe Fe18 1 0.09692200 0.09692200 0.20291300 1.0 Fe Fe19 1 0.85762200 0.46427100 0.67498500 1.0 Fe Fe20 1 0.93589500 0.72529000 0.62012000 1.0 Fe Fe21 1 0.81570400 0.18429600 0.25468000 1.0 Fe Fe22 1 0.96427100 0.64237800 0.82501500 1.0 Fe Fe23 1 0.22529000 0.56410500 0.87988000 1.0 Fe Fe24 1 0.56410500 0.22529000 0.87988000 1.0 Fe Fe25 1 0.14237800 0.53572900 0.32501500 1.0 Fe Fe26 1 0.18429600 0.81570400 0.25468000 1.0 Fe Fe27 1 0.31570400 0.31570400 0.75468000 1.0 Fe Fe28 1 0.68429600 0.68429600 0.24532000 1.0 Fe Fe29 1 0.35762200 0.03572900 0.82501500 1.0 Fe Fe30 1 0.31570400 0.31570400 0.24532000 1.0 Fe Fe31 1 0.90307800 0.90307800 0.20291300 1.0 Fe Fe32 1 0.06410500 0.27471000 0.37988000 1.0 Fe Fe33 1 0.72529000 0.93589500 0.37988000 1.0 Fe Fe34 1 0.85762200 0.46427100 0.32501500 1.0 Fe Fe35 1 0.64237800 0.96427100 0.82501500 1.0 Fe Fe36 1 0.46427100 0.85762200 0.32501500 1.0 Fe Fe37 1 0.59692200 0.40307800 0.70291300 1.0 Fe Fe38 1 0.90307800 0.90307800 0.79708700 1.0 Fe Fe39 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe40 1 0.27471000 0.06410500 0.62012000 1.0 Fe Fe41 1 0.14237800 0.53572900 0.67498500 1.0 Fe Fe42 1 0.46427100 0.85762200 0.67498500 1.0 Fe Fe43 1 0.50000000 0.50000000 0.10810600 1.0 Fe Fe44 1 0.93589500 0.72529000 0.37988000 1.0 Fe Fe45 1 0.53572900 0.14237800 0.67498500 1.0 Fe Fe46 1 0.43589500 0.77471000 0.87988000 1.0 Fe Fe47 1 0.96427100 0.64237800 0.17498500 1.0 Fe Fe48 1 0.81570400 0.18429600 0.74532000 1.0 Fe Fe49 1 0.22529000 0.56410500 0.12012000 1.0 Fe Fe50 1 0.59692200 0.40307800 0.29708700 1.0 Fe Fe51 1 0.06410500 0.27471000 0.62012000 1.0 Fe Fe52 1 0.68429600 0.68429600 0.75468000 1.0 Fe Fe53 1 0.56410500 0.22529000 0.12012000 1.0 Fe Fe54 1 0.00000000 0.00000000 0.60810600 1.0 Fe Fe55 1 0.18429600 0.81570400 0.74532000 1.0 Fe Fe56 1 0.09692200 0.09692200 0.79708700 1.0 Fe Fe57 1 0.77471000 0.43589500 0.87988000 1.0 Fe Fe58 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe59 1 0.40307800 0.59692200 0.70291300 1.0 Fe Fe60 1 0.00000000 0.00000000 0.39189400 1.0 Fe Fe61 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe62 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe63 1 0.40307800 0.59692200 0.29708700 1.0 C C64 1 0.12757900 0.12757900 0.50000000 1.0 C C65 1 0.87242100 0.87242100 0.50000000 1.0 C C66 1 0.62757900 0.37242100 0.00000000 1.0 C C67 1 0.37242100 0.62757900 0.00000000 1.0