# generated using pymatgen data_Ba5SnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.57152894 _cell_length_b 8.57152894 _cell_length_c 15.98957765 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5SnRh2 _chemical_formula_sum 'Ba20 Sn4 Rh8' _cell_volume 1174.77199096 _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 Ba Ba0 1 0.32372766 0.67374349 0.11855958 1.0 Ba Ba1 1 0.17374349 0.17627234 0.11855958 1.0 Ba Ba2 1 0.50000000 0.00000000 0.74763958 1.0 Ba Ba3 1 0.32625651 0.67627234 0.38144042 1.0 Ba Ba4 1 0.67374349 0.67627234 0.88144042 1.0 Ba Ba5 1 0.17627234 0.17374349 0.38144042 1.0 Ba Ba6 1 0.67374349 0.32372766 0.38144042 1.0 Ba Ba7 1 0.17374349 0.82372766 0.61855958 1.0 Ba Ba8 1 0.32625651 0.32372766 0.88144042 1.0 Ba Ba9 1 0.17627234 0.82625651 0.88144042 1.0 Ba Ba10 1 0.50000000 0.00000000 0.24763958 1.0 Ba Ba11 1 0.82625651 0.17627234 0.61855958 1.0 Ba Ba12 1 0.32372766 0.32625651 0.61855958 1.0 Ba Ba13 1 0.82372766 0.82625651 0.38144042 1.0 Ba Ba14 1 0.82372766 0.17374349 0.88144042 1.0 Ba Ba15 1 0.82625651 0.82372766 0.11855958 1.0 Ba Ba16 1 0.00000000 0.50000000 0.25236042 1.0 Ba Ba17 1 0.00000000 0.50000000 0.75236042 1.0 Ba Ba18 1 0.67627234 0.32625651 0.11855958 1.0 Ba Ba19 1 0.67627234 0.67374349 0.61855958 1.0 Sn Sn20 1 0.00000000 0.50000000 0.99877010 1.0 Sn Sn21 1 0.50000000 0.00000000 0.00122990 1.0 Sn Sn22 1 0.50000000 0.00000000 0.50122990 1.0 Sn Sn23 1 0.00000000 0.50000000 0.49877010 1.0 Rh Rh24 1 0.11129017 0.11129017 0.75000000 1.0 Rh Rh25 1 0.38870983 0.61129017 0.75000000 1.0 Rh Rh26 1 0.61129017 0.61129017 0.25000000 1.0 Rh Rh27 1 0.11129017 0.88870983 0.25000000 1.0 Rh Rh28 1 0.61129017 0.38870983 0.75000000 1.0 Rh Rh29 1 0.88870983 0.88870983 0.75000000 1.0 Rh Rh30 1 0.38870983 0.38870983 0.25000000 1.0 Rh Rh31 1 0.88870983 0.11129017 0.25000000 1.0