# generated using pymatgen data_Pr3GeI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90015648 _cell_length_b 10.90015618 _cell_length_c 10.90015591 _cell_angle_alpha 109.47121827 _cell_angle_beta 109.47121772 _cell_angle_gamma 109.47122411 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr3GeI3 _chemical_formula_sum 'Pr12 Ge4 I12' _cell_volume 996.95666762 _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 Pr Pr0 1 0.46862760 0.48431430 0.23431430 1.0 Pr Pr1 1 0.75000000 0.23431430 0.26568570 1.0 Pr Pr2 1 0.75000000 0.01568570 0.48431430 1.0 Pr Pr3 1 0.23431430 0.46862760 0.48431430 1.0 Pr Pr4 1 0.26568570 0.75000000 0.23431430 1.0 Pr Pr5 1 0.03137240 0.26568570 0.01568570 1.0 Pr Pr6 1 0.01568570 0.03137240 0.26568570 1.0 Pr Pr7 1 0.48431430 0.75000000 0.01568570 1.0 Pr Pr8 1 0.48431430 0.23431430 0.46862760 1.0 Pr Pr9 1 0.01568570 0.48431430 0.75000000 1.0 Pr Pr10 1 0.26568570 0.01568570 0.03137240 1.0 Pr Pr11 1 0.23431430 0.26568570 0.75000000 1.0 Ge Ge12 1 0.25000000 0.25000000 0.25000000 1.0 Ge Ge13 1 0.50000000 0.00000000 0.25000000 1.0 Ge Ge14 1 0.00000000 0.25000000 0.50000000 1.0 Ge Ge15 1 0.25000000 0.50000000 0.00000000 1.0 I I16 1 0.25000000 0.75768762 0.74231238 1.0 I I17 1 0.51537324 0.50768762 0.75768762 1.0 I I18 1 0.98462676 0.74231238 0.99231238 1.0 I I19 1 0.74231238 0.25000000 0.75768762 1.0 I I20 1 0.99231238 0.98462676 0.74231238 1.0 I I21 1 0.25000000 0.99231238 0.50768762 1.0 I I22 1 0.75768762 0.51537324 0.50768762 1.0 I I23 1 0.50768762 0.25000000 0.99231238 1.0 I I24 1 0.75768762 0.74231238 0.25000000 1.0 I I25 1 0.74231238 0.99231238 0.98462676 1.0 I I26 1 0.99231238 0.50768762 0.25000000 1.0 I I27 1 0.50768762 0.75768762 0.51537324 1.0