# generated using pymatgen data_Tm2Fe14C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70082100 _cell_length_b 8.70082100 _cell_length_c 11.64170900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Fe14C _chemical_formula_sum 'Tm8 Fe56 C4' _cell_volume 881.32726853 _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 Tm Tm0 1 0.64334700 0.64334700 0.50000000 1.0 Tm Tm1 1 0.75895700 0.24104300 0.50000000 1.0 Tm Tm2 1 0.85665300 0.14334700 0.00000000 1.0 Tm Tm3 1 0.25895700 0.25895700 0.00000000 1.0 Tm Tm4 1 0.35665300 0.35665300 0.50000000 1.0 Tm Tm5 1 0.14334700 0.85665300 0.00000000 1.0 Tm Tm6 1 0.24104300 0.75895700 0.50000000 1.0 Tm Tm7 1 0.74104300 0.74104300 0.00000000 1.0 Fe Fe8 1 0.68396400 0.68396400 0.75468300 1.0 Fe Fe9 1 0.72515300 0.93561900 0.62009700 1.0 Fe Fe10 1 0.64253500 0.96407300 0.82525300 1.0 Fe Fe11 1 0.77484700 0.43561900 0.12009700 1.0 Fe Fe12 1 0.85746500 0.46407300 0.67474700 1.0 Fe Fe13 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe14 1 0.90309400 0.90309400 0.79755700 1.0 Fe Fe15 1 0.43561900 0.77484700 0.87990300 1.0 Fe Fe16 1 0.59690600 0.40309400 0.29755700 1.0 Fe Fe17 1 0.50000000 0.50000000 0.89203100 1.0 Fe Fe18 1 0.46407300 0.85746500 0.67474700 1.0 Fe Fe19 1 0.93561900 0.72515300 0.37990300 1.0 Fe Fe20 1 0.40309400 0.59690600 0.70244300 1.0 Fe Fe21 1 0.81603600 0.18396400 0.25468300 1.0 Fe Fe22 1 0.53592700 0.14253500 0.32525300 1.0 Fe Fe23 1 0.90309400 0.90309400 0.20244300 1.0 Fe Fe24 1 0.35746500 0.03592700 0.82525300 1.0 Fe Fe25 1 0.85746500 0.46407300 0.32525300 1.0 Fe Fe26 1 0.03592700 0.35746500 0.82525300 1.0 Fe Fe27 1 0.93561900 0.72515300 0.62009700 1.0 Fe Fe28 1 0.43561900 0.77484700 0.12009700 1.0 Fe Fe29 1 0.31603600 0.31603600 0.24531700 1.0 Fe Fe30 1 0.31603600 0.31603600 0.75468300 1.0 Fe Fe31 1 0.96407300 0.64253500 0.17474700 1.0 Fe Fe32 1 0.96407300 0.64253500 0.82525300 1.0 Fe Fe33 1 0.81603600 0.18396400 0.74531700 1.0 Fe Fe34 1 0.53592700 0.14253500 0.67474700 1.0 Fe Fe35 1 0.27484700 0.06438100 0.37990300 1.0 Fe Fe36 1 0.06438100 0.27484700 0.62009700 1.0 Fe Fe37 1 0.22515300 0.56438100 0.12009700 1.0 Fe Fe38 1 0.14253500 0.53592700 0.67474700 1.0 Fe Fe39 1 0.56438100 0.22515300 0.12009700 1.0 Fe Fe40 1 0.27484700 0.06438100 0.62009700 1.0 Fe Fe41 1 0.18396400 0.81603600 0.25468300 1.0 Fe Fe42 1 0.40309400 0.59690600 0.29755700 1.0 Fe Fe43 1 0.68396400 0.68396400 0.24531700 1.0 Fe Fe44 1 0.72515300 0.93561900 0.37990300 1.0 Fe Fe45 1 0.00000000 0.00000000 0.39203100 1.0 Fe Fe46 1 0.06438100 0.27484700 0.37990300 1.0 Fe Fe47 1 0.50000000 0.50000000 0.10796900 1.0 Fe Fe48 1 0.03592700 0.35746500 0.17474700 1.0 Fe Fe49 1 0.59690600 0.40309400 0.70244300 1.0 Fe Fe50 1 0.35746500 0.03592700 0.17474700 1.0 Fe Fe51 1 0.09690600 0.09690600 0.20244300 1.0 Fe Fe52 1 0.18396400 0.81603600 0.74531700 1.0 Fe Fe53 1 0.46407300 0.85746500 0.32525300 1.0 Fe Fe54 1 0.64253500 0.96407300 0.17474700 1.0 Fe Fe55 1 0.00000000 0.00000000 0.60796900 1.0 Fe Fe56 1 0.09690600 0.09690600 0.79755700 1.0 Fe Fe57 1 0.22515300 0.56438100 0.87990300 1.0 Fe Fe58 1 0.77484700 0.43561900 0.87990300 1.0 Fe Fe59 1 0.56438100 0.22515300 0.87990300 1.0 Fe Fe60 1 0.00000000 0.50000000 0.00000000 1.0 Fe Fe61 1 0.14253500 0.53592700 0.32525300 1.0 Fe Fe62 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.50000000 1.0 C C64 1 0.87188300 0.87188300 0.50000000 1.0 C C65 1 0.12811700 0.12811700 0.50000000 1.0 C C66 1 0.37188300 0.62811700 0.00000000 1.0 C C67 1 0.62811700 0.37188300 0.00000000 1.0