# generated using pymatgen data_Sc2ReC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77296498 _cell_length_b 6.26255035 _cell_length_c 9.34544956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ReC2 _chemical_formula_sum 'Sc8 Re4 C8' _cell_volume 279.34421121 _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 Sc Sc0 1 0.25000000 0.83627605 0.93715666 1.0 Sc Sc1 1 0.25000000 0.33627605 0.56284334 1.0 Sc Sc2 1 0.75000000 0.16372395 0.06284334 1.0 Sc Sc3 1 0.75000000 0.66372395 0.43715666 1.0 Sc Sc4 1 0.25000000 0.45381958 0.21955516 1.0 Sc Sc5 1 0.25000000 0.95381958 0.28044484 1.0 Sc Sc6 1 0.75000000 0.54618042 0.78044484 1.0 Sc Sc7 1 0.75000000 0.04618042 0.71955516 1.0 Re Re8 1 0.25000000 0.30195792 0.87851034 1.0 Re Re9 1 0.25000000 0.80195792 0.62148966 1.0 Re Re10 1 0.75000000 0.69804208 0.12148966 1.0 Re Re11 1 0.75000000 0.19804208 0.37851034 1.0 C C12 1 0.25000000 0.07033160 0.74258307 1.0 C C13 1 0.25000000 0.57033160 0.75741693 1.0 C C14 1 0.75000000 0.92966840 0.25741693 1.0 C C15 1 0.75000000 0.42966840 0.24258307 1.0 C C16 1 0.25000000 0.66359157 0.43664451 1.0 C C17 1 0.25000000 0.16359157 0.06335549 1.0 C C18 1 0.75000000 0.33640843 0.56335549 1.0 C C19 1 0.75000000 0.83640843 0.93664451 1.0