# generated using pymatgen data_CaRhO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.13312540 _cell_length_b 8.87479078 _cell_length_c 12.45363577 _cell_angle_alpha 104.14409269 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaRhO3 _chemical_formula_sum 'Ca6 Rh6 O18' _cell_volume 335.78585892 _cell_formula_units_Z 6 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 Ca Ca0 1 0.75000000 0.61607955 0.66846851 1.0 Ca Ca1 1 0.25000000 0.38392045 0.33153149 1.0 Ca Ca2 1 0.75000000 0.99337328 0.64966844 1.0 Ca Ca3 1 0.25000000 0.00662672 0.35033156 1.0 Ca Ca4 1 0.25000000 0.33123277 0.05242825 1.0 Ca Ca5 1 0.75000000 0.66876723 0.94757175 1.0 Rh Rh6 1 0.75000000 0.27174772 0.54432186 1.0 Rh Rh7 1 0.25000000 0.72825228 0.45567814 1.0 Rh Rh8 1 0.25000000 0.99953179 0.89168843 1.0 Rh Rh9 1 0.75000000 0.00046821 0.10831157 1.0 Rh Rh10 1 0.75000000 0.64561483 0.19411245 1.0 Rh Rh11 1 0.25000000 0.35438517 0.80588755 1.0 O O12 1 0.75000000 0.87516777 0.81986053 1.0 O O13 1 0.25000000 0.12483223 0.18013947 1.0 O O14 1 0.25000000 0.78704169 0.61681989 1.0 O O15 1 0.75000000 0.21295831 0.38318011 1.0 O O16 1 0.25000000 0.12859547 0.54756554 1.0 O O17 1 0.75000000 0.87140453 0.45243446 1.0 O O18 1 0.25000000 0.41433489 0.55016127 1.0 O O19 1 0.75000000 0.58566511 0.44983873 1.0 O O20 1 0.75000000 0.32674266 0.70552133 1.0 O O21 1 0.25000000 0.67325734 0.29447867 1.0 O O22 1 0.25000000 0.58041729 0.80856678 1.0 O O23 1 0.75000000 0.41958271 0.19143322 1.0 O O24 1 0.25000000 0.12398963 0.78518966 1.0 O O25 1 0.75000000 0.87601037 0.21481034 1.0 O O26 1 0.75000000 0.39132732 0.91334698 1.0 O O27 1 0.25000000 0.60867268 0.08665302 1.0 O O28 1 0.75000000 0.11701482 0.98575912 1.0 O O29 1 0.25000000 0.88298518 0.01424088 1.0