# generated using pymatgen data_Ca4P7Rh8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94392355 _cell_length_b 12.51567315 _cell_length_c 13.08238011 _cell_angle_alpha 80.94309248 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca4P7Rh8 _chemical_formula_sum 'Ca8 P14 Rh16' _cell_volume 637.70651171 _cell_formula_units_Z 2 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 0.78615166 0.56408022 1.0 Ca Ca1 1 0.25000000 0.21384834 0.43591978 1.0 Ca Ca2 1 0.75000000 0.48505763 0.70857566 1.0 Ca Ca3 1 0.25000000 0.51494237 0.29142434 1.0 Ca Ca4 1 0.75000000 0.71848757 0.89415776 1.0 Ca Ca5 1 0.25000000 0.10311198 0.79119929 1.0 Ca Ca6 1 0.75000000 0.89688802 0.20880071 1.0 Ca Ca7 1 0.25000000 0.28151243 0.10584224 1.0 P P8 1 0.25000000 0.91053058 0.41251078 1.0 P P9 1 0.75000000 0.47206374 0.12781204 1.0 P P10 1 0.25000000 0.52793626 0.87218796 1.0 P P11 1 0.75000000 0.08946942 0.58748922 1.0 P P12 1 0.25000000 0.73921718 0.07574198 1.0 P P13 1 0.75000000 0.26078282 0.92425802 1.0 P P14 1 0.75000000 0.15488299 0.28335219 1.0 P P15 1 0.25000000 0.84511701 0.71664781 1.0 P P16 1 0.25000000 0.05293880 0.10026308 1.0 P P17 1 0.75000000 0.94706120 0.89973692 1.0 P P18 1 0.25000000 0.31177071 0.68860420 1.0 P P19 1 0.75000000 0.68822929 0.31139580 1.0 P P20 1 0.25000000 0.60989156 0.56040177 1.0 P P21 1 0.75000000 0.39010844 0.43959823 1.0 Rh Rh22 1 0.25000000 0.98489579 0.57472286 1.0 Rh Rh23 1 0.75000000 0.01510421 0.42527714 1.0 Rh Rh24 1 0.25000000 0.66305553 0.72550067 1.0 Rh Rh25 1 0.75000000 0.33694447 0.27449933 1.0 Rh Rh26 1 0.25000000 0.55407143 0.04709705 1.0 Rh Rh27 1 0.75000000 0.44592857 0.95290295 1.0 Rh Rh28 1 0.25000000 0.06149399 0.27487172 1.0 Rh Rh29 1 0.75000000 0.93850601 0.72512828 1.0 Rh Rh30 1 0.25000000 0.42387912 0.52902167 1.0 Rh Rh31 1 0.75000000 0.57612088 0.47097833 1.0 Rh Rh32 1 0.25000000 0.91654799 0.99869571 1.0 Rh Rh33 1 0.75000000 0.08345201 0.00130429 1.0 Rh Rh34 1 0.25000000 0.72822852 0.39527708 1.0 Rh Rh35 1 0.75000000 0.27177148 0.60472292 1.0 Rh Rh36 1 0.25000000 0.33951370 0.85970443 1.0 Rh Rh37 1 0.75000000 0.66048630 0.14029557 1.0