# generated using pymatgen data_Ca5Nd(GaRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81006127 _cell_length_b 7.71142812 _cell_length_c 13.77397033 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.50096828 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Nd(GaRh)4 _chemical_formula_sum 'Ca10 Nd2 Ga8 Rh8' _cell_volume 617.10358427 _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 0.37022276 0.75158014 0.25000000 1.0 Ca Ca1 1 0.62977724 0.24841986 0.75000000 1.0 Ca Ca2 1 0.13849884 0.39846063 0.09621567 1.0 Ca Ca3 1 0.86150116 0.60153937 0.90378433 1.0 Ca Ca4 1 0.86150116 0.60153937 0.59621567 1.0 Ca Ca5 1 0.85706027 0.89770245 0.40430478 1.0 Ca Ca6 1 0.13849884 0.39846063 0.40378433 1.0 Ca Ca7 1 0.14293973 0.10229755 0.59569522 1.0 Ca Ca8 1 0.14293973 0.10229755 0.90430478 1.0 Ca Ca9 1 0.85706027 0.89770245 0.09569522 1.0 Nd Nd10 1 0.61520634 0.24715010 0.25000000 1.0 Nd Nd11 1 0.38479366 0.75284990 0.75000000 1.0 Ga Ga12 1 0.13333103 0.09372424 0.25000000 1.0 Ga Ga13 1 0.86666897 0.90627576 0.75000000 1.0 Ga Ga14 1 0.84448695 0.60141765 0.25000000 1.0 Ga Ga15 1 0.15551305 0.39858235 0.75000000 1.0 Ga Ga16 1 0.60622992 0.24983125 0.99563897 1.0 Ga Ga17 1 0.39377008 0.75016875 0.00436103 1.0 Ga Ga18 1 0.39377008 0.75016875 0.49563897 1.0 Ga Ga19 1 0.60622992 0.24983125 0.50436103 1.0 Rh Rh20 1 0.36525553 0.03566248 0.09333716 1.0 Rh Rh21 1 0.63474447 0.96433752 0.90666284 1.0 Rh Rh22 1 0.63474447 0.96433752 0.59333716 1.0 Rh Rh23 1 0.63970748 0.52455277 0.40577788 1.0 Rh Rh24 1 0.36525553 0.03566248 0.40666284 1.0 Rh Rh25 1 0.36029252 0.47544723 0.59422212 1.0 Rh Rh26 1 0.36029252 0.47544723 0.90577788 1.0 Rh Rh27 1 0.63970748 0.52455277 0.09422212 1.0