# generated using pymatgen data_Tm3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.92543360 _cell_length_b 7.92543360 _cell_length_c 15.71969417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3C4 _chemical_formula_sum 'Tm30 C40' _cell_volume 987.39325465 _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 Tm Tm0 1 0.50000000 0.50000000 0.50000000 1.0 Tm Tm1 1 -0.00000000 -0.00000000 0.00000000 1.0 Tm Tm2 1 0.50000000 0.50000000 0.18724107 1.0 Tm Tm3 1 -0.00000000 -0.00000000 0.68724107 1.0 Tm Tm4 1 0.50000000 0.50000000 0.81275893 1.0 Tm Tm5 1 -0.00000000 -0.00000000 0.31275893 1.0 Tm Tm6 1 0.70249847 0.90431569 0.50000000 1.0 Tm Tm7 1 0.29750153 0.09568431 0.50000000 1.0 Tm Tm8 1 0.79750153 0.40431569 0.00000000 1.0 Tm Tm9 1 0.20249847 0.59568431 0.00000000 1.0 Tm Tm10 1 0.90431569 0.29750153 0.50000000 1.0 Tm Tm11 1 0.09568431 0.70249847 0.50000000 1.0 Tm Tm12 1 0.40431569 0.20249847 0.00000000 1.0 Tm Tm13 1 0.59568431 0.79750153 0.00000000 1.0 Tm Tm14 1 0.78800294 0.59992698 0.35422221 1.0 Tm Tm15 1 0.21199706 0.40007302 0.35422221 1.0 Tm Tm16 1 0.71199706 0.09992698 0.85422221 1.0 Tm Tm17 1 0.28800294 0.90007302 0.85422221 1.0 Tm Tm18 1 0.59992698 0.21199706 0.35422221 1.0 Tm Tm19 1 0.40007302 0.78800294 0.35422221 1.0 Tm Tm20 1 0.09992698 0.28800294 0.85422221 1.0 Tm Tm21 1 0.90007302 0.71199706 0.85422221 1.0 Tm Tm22 1 0.21199706 0.40007302 0.64577779 1.0 Tm Tm23 1 0.78800294 0.59992698 0.64577779 1.0 Tm Tm24 1 0.28800294 0.90007302 0.14577779 1.0 Tm Tm25 1 0.71199706 0.09992698 0.14577779 1.0 Tm Tm26 1 0.40007302 0.78800294 0.64577779 1.0 Tm Tm27 1 0.59992698 0.21199706 0.64577779 1.0 Tm Tm28 1 0.90007302 0.71199706 0.14577779 1.0 Tm Tm29 1 0.09992698 0.28800294 0.14577779 1.0 C C30 1 0.50000000 0.50000000 0.95855223 1.0 C C31 1 -0.00000000 -0.00000000 0.45855223 1.0 C C32 1 0.50000000 0.50000000 0.04144777 1.0 C C33 1 -0.00000000 -0.00000000 0.54144777 1.0 C C34 1 0.50000000 0.50000000 0.34277349 1.0 C C35 1 -0.00000000 -0.00000000 0.84277349 1.0 C C36 1 0.50000000 0.50000000 0.65722651 1.0 C C37 1 -0.00000000 -0.00000000 0.15722651 1.0 C C38 1 0.60618041 0.19595990 0.50000000 1.0 C C39 1 0.39381959 0.80404010 0.50000000 1.0 C C40 1 0.89381959 0.69595990 0.00000000 1.0 C C41 1 0.10618041 0.30404010 0.00000000 1.0 C C42 1 0.19595990 0.39381959 0.50000000 1.0 C C43 1 0.80404010 0.60618041 0.50000000 1.0 C C44 1 0.69595990 0.10618041 0.00000000 1.0 C C45 1 0.30404010 0.89381959 0.00000000 1.0 C C46 1 0.69346457 0.90187182 0.32830728 1.0 C C47 1 0.30653543 0.09812818 0.32830728 1.0 C C48 1 0.80653543 0.40187182 0.82830728 1.0 C C49 1 0.19346457 0.59812818 0.82830728 1.0 C C50 1 0.90187182 0.30653543 0.32830728 1.0 C C51 1 0.09812818 0.69346457 0.32830728 1.0 C C52 1 0.40187182 0.19346457 0.82830728 1.0 C C53 1 0.59812818 0.80653543 0.82830728 1.0 C C54 1 0.30653543 0.09812818 0.67169272 1.0 C C55 1 0.69346457 0.90187182 0.67169272 1.0 C C56 1 0.19346457 0.59812818 0.17169272 1.0 C C57 1 0.80653543 0.40187182 0.17169272 1.0 C C58 1 0.09812818 0.69346457 0.67169272 1.0 C C59 1 0.90187182 0.30653543 0.67169272 1.0 C C60 1 0.59812818 0.80653543 0.17169272 1.0 C C61 1 0.40187182 0.19346457 0.17169272 1.0 C C62 1 0.64984783 0.85015217 0.25000000 1.0 C C63 1 0.35015217 0.14984783 0.25000000 1.0 C C64 1 0.85015217 0.35015217 0.75000000 1.0 C C65 1 0.14984783 0.64984783 0.75000000 1.0 C C66 1 0.85015217 0.35015217 0.25000000 1.0 C C67 1 0.14984783 0.64984783 0.25000000 1.0 C C68 1 0.35015217 0.14984783 0.75000000 1.0 C C69 1 0.64984783 0.85015217 0.75000000 1.0