# generated using pymatgen data_Ca3Zn3Rh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73671554 _cell_length_b 7.86567778 _cell_length_c 15.11282167 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Zn3Rh2 _chemical_formula_sum 'Ca12 Zn12 Rh8' _cell_volume 681.93820882 _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 Ca Ca0 1 0.11662697 0.54027055 0.60530999 1.0 Ca Ca1 1 0.62589345 0.68193982 0.75000000 1.0 Ca Ca2 1 0.61662697 0.95972945 0.10530999 1.0 Ca Ca3 1 0.38337303 0.04027055 0.89469001 1.0 Ca Ca4 1 0.61662697 0.95972945 0.39469001 1.0 Ca Ca5 1 0.87410655 0.18193982 0.75000000 1.0 Ca Ca6 1 0.37410655 0.31806018 0.25000000 1.0 Ca Ca7 1 0.38337303 0.04027055 0.60530999 1.0 Ca Ca8 1 0.88337303 0.45972945 0.10530999 1.0 Ca Ca9 1 0.11662697 0.54027055 0.89469001 1.0 Ca Ca10 1 0.12589345 0.81806018 0.25000000 1.0 Ca Ca11 1 0.88337303 0.45972945 0.39469001 1.0 Zn Zn12 1 0.09366241 0.83900242 0.75000000 1.0 Zn Zn13 1 0.89135614 0.17246967 0.96280705 1.0 Zn Zn14 1 0.90633759 0.16099758 0.25000000 1.0 Zn Zn15 1 0.59366241 0.66099758 0.25000000 1.0 Zn Zn16 1 0.10864386 0.82753033 0.46280705 1.0 Zn Zn17 1 0.39135614 0.32753033 0.03719295 1.0 Zn Zn18 1 0.60864386 0.67246967 0.53719295 1.0 Zn Zn19 1 0.60864386 0.67246967 0.96280705 1.0 Zn Zn20 1 0.39135614 0.32753033 0.46280705 1.0 Zn Zn21 1 0.10864386 0.82753033 0.03719295 1.0 Zn Zn22 1 0.40633759 0.33900242 0.75000000 1.0 Zn Zn23 1 0.89135614 0.17246967 0.53719295 1.0 Rh Rh24 1 0.88719600 0.88135693 0.60551054 1.0 Rh Rh25 1 0.61280400 0.38135693 0.89448946 1.0 Rh Rh26 1 0.88719600 0.88135693 0.89448946 1.0 Rh Rh27 1 0.38719600 0.61864307 0.10551054 1.0 Rh Rh28 1 0.11280400 0.11864307 0.39448946 1.0 Rh Rh29 1 0.38719600 0.61864307 0.39448946 1.0 Rh Rh30 1 0.61280400 0.38135693 0.60551054 1.0 Rh Rh31 1 0.11280400 0.11864307 0.10551054 1.0