# generated using pymatgen data_Y4C2I3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79007051 _cell_length_b 11.18299684 _cell_length_c 21.51786594 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y4C2I3 _chemical_formula_sum 'Y16 C8 I12' _cell_volume 912.02068754 _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 Y Y0 1 0.25000000 0.87508778 0.58989176 1.0 Y Y1 1 0.75000000 0.12491222 0.41010824 1.0 Y Y2 1 0.75000000 0.62491222 0.08989176 1.0 Y Y3 1 0.25000000 0.37508778 0.91010824 1.0 Y Y4 1 0.25000000 0.87783060 0.74405819 1.0 Y Y5 1 0.75000000 0.12216940 0.25594181 1.0 Y Y6 1 0.75000000 0.62216940 0.24405819 1.0 Y Y7 1 0.25000000 0.37783060 0.75594181 1.0 Y Y8 1 0.25000000 0.85231164 0.17498108 1.0 Y Y9 1 0.75000000 0.14768836 0.82501892 1.0 Y Y10 1 0.75000000 0.64768836 0.67498108 1.0 Y Y11 1 0.25000000 0.35231164 0.32501892 1.0 Y Y12 1 0.25000000 0.89552077 0.32470375 1.0 Y Y13 1 0.75000000 0.10447923 0.67529625 1.0 Y Y14 1 0.75000000 0.60447923 0.82470375 1.0 Y Y15 1 0.25000000 0.39552077 0.17529625 1.0 C C16 1 0.25000000 0.62448399 0.75121948 1.0 C C17 1 0.75000000 0.37551601 0.24878052 1.0 C C18 1 0.75000000 0.87551601 0.25121948 1.0 C C19 1 0.25000000 0.12448399 0.74878052 1.0 C C20 1 0.25000000 0.62284840 0.16128385 1.0 C C21 1 0.75000000 0.37715160 0.83871615 1.0 C C22 1 0.75000000 0.87715160 0.66128385 1.0 C C23 1 0.25000000 0.12284840 0.33871615 1.0 I I24 1 0.25000000 0.61928416 0.55620459 1.0 I I25 1 0.75000000 0.38071584 0.44379541 1.0 I I26 1 0.75000000 0.88071584 0.05620459 1.0 I I27 1 0.25000000 0.11928416 0.94379541 1.0 I I28 1 0.25000000 0.63320071 0.95384157 1.0 I I29 1 0.75000000 0.36679929 0.04615843 1.0 I I30 1 0.75000000 0.86679929 0.45384157 1.0 I I31 1 0.25000000 0.13320071 0.54615843 1.0 I I32 1 0.25000000 0.62578748 0.35827338 1.0 I I33 1 0.75000000 0.37421252 0.64172662 1.0 I I34 1 0.75000000 0.87421252 0.85827338 1.0 I I35 1 0.25000000 0.12578748 0.14172662 1.0