# generated using pymatgen data_Ca3Er2Si12Rh19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.67983539 _cell_length_b 12.67983400 _cell_length_c 3.96609681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999854 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Er2Si12Rh19 _chemical_formula_sum 'Ca3 Er2 Si12 Rh19' _cell_volume 552.23144525 _cell_formula_units_Z 1 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 0.00000000 0.18479630 0.50000000 1.0 Ca Ca1 1 0.81520370 0.81520370 0.50000000 1.0 Ca Ca2 1 0.18479630 1.00000000 0.50000000 1.0 Er Er3 1 0.66666700 0.33333300 0.00000000 1.0 Er Er4 1 0.33333300 0.66666700 0.00000000 1.0 Si Si5 1 0.47699611 0.31231850 0.50000000 1.0 Si Si6 1 0.81571185 0.00000000 0.00000000 1.0 Si Si7 1 0.18428815 0.18428815 0.00000000 1.0 Si Si8 1 1.00000000 0.81571185 0.00000000 1.0 Si Si9 1 0.37257296 1.00000000 0.00000000 1.0 Si Si10 1 0.68768150 0.16467761 0.50000000 1.0 Si Si11 1 0.83532239 0.52300389 0.50000000 1.0 Si Si12 1 0.52300389 0.83532239 0.50000000 1.0 Si Si13 1 0.16467761 0.68768150 0.50000000 1.0 Si Si14 1 0.31231850 0.47699611 0.50000000 1.0 Si Si15 1 0.00000000 0.37257296 0.00000000 1.0 Si Si16 1 0.62742704 0.62742704 0.00000000 1.0 Rh Rh17 1 0.80549687 0.18447312 0.00000000 1.0 Rh Rh18 1 0.37897626 0.19450313 0.00000000 1.0 Rh Rh19 1 0.63871362 0.51173849 0.50000000 1.0 Rh Rh20 1 0.87302487 0.36128638 0.50000000 1.0 Rh Rh21 1 0.36128638 0.87302487 0.50000000 1.0 Rh Rh22 1 0.51173849 0.63871362 0.50000000 1.0 Rh Rh23 1 0.12697513 0.48826151 0.50000000 1.0 Rh Rh24 1 0.81552688 0.62102374 0.00000000 1.0 Rh Rh25 1 0.62102374 0.81552688 0.00000000 1.0 Rh Rh26 1 0.18447312 0.80549687 0.00000000 1.0 Rh Rh27 1 0.19450313 0.37897626 0.00000000 1.0 Rh Rh28 1 1.00000000 0.72004746 0.50000000 1.0 Rh Rh29 1 0.27995254 0.27995254 0.50000000 1.0 Rh Rh30 1 0.72004746 0.00000000 0.50000000 1.0 Rh Rh31 1 1.00000000 0.55441759 0.00000000 1.0 Rh Rh32 1 0.44558241 0.44558241 0.00000000 1.0 Rh Rh33 1 0.55441759 0.00000000 0.00000000 1.0 Rh Rh34 1 0.00000000 0.00000000 0.00000000 1.0 Rh Rh35 1 0.48826151 0.12697513 0.50000000 1.0