# generated using pymatgen data_Pr2Th6CrSe17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39787491 _cell_length_b 8.39787451 _cell_length_c 11.24312191 _cell_angle_alpha 80.46735038 _cell_angle_beta 80.46734493 _cell_angle_gamma 65.25445106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr2Th6CrSe17 _chemical_formula_sum 'Pr2 Th6 Cr1 Se17' _cell_volume 706.04505859 _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 Pr Pr0 1 0.81444744 0.30618061 0.29624389 1.0 Pr Pr1 1 0.69381939 0.18555256 0.70375611 1.0 Th Th2 1 0.18247045 0.69626397 0.70505453 1.0 Th Th3 1 0.30373603 0.81752955 0.29494547 1.0 Th Th4 1 0.20516274 0.20313024 0.54475886 1.0 Th Th5 1 0.79686976 0.79483726 0.45524114 1.0 Th Th6 1 0.68061384 0.68144629 0.97904637 1.0 Th Th7 1 0.31855371 0.31938616 0.02095363 1.0 Cr Cr8 1 0.99932937 0.00067063 1.00000000 1.0 Se Se9 1 0.82746310 0.43070391 0.53298523 1.0 Se Se10 1 0.56929609 0.17253690 0.46701477 1.0 Se Se11 1 0.18180011 0.56692615 0.46657075 1.0 Se Se12 1 0.43307385 0.81819989 0.53342925 1.0 Se Se13 1 0.94491339 0.32089434 0.02326550 1.0 Se Se14 1 0.67910466 0.05508661 0.97673450 1.0 Se Se15 1 0.05191640 0.68095544 0.97445673 1.0 Se Se16 1 0.31904456 0.94808360 0.02554327 1.0 Se Se17 1 0.22073298 0.20790610 0.27813165 1.0 Se Se18 1 0.79209390 0.77926702 0.72186835 1.0 Se Se19 1 0.06069518 0.05194649 0.77719448 1.0 Se Se20 1 0.94805351 0.93930482 0.22280552 1.0 Se Se21 1 0.29138650 0.30602292 0.75907296 1.0 Se Se22 1 0.69397708 0.70861350 0.24092704 1.0 Se Se23 1 0.51145602 0.52655101 0.83457096 1.0 Se Se24 1 0.47344899 0.48854398 0.16542904 1.0 Se Se25 1 0.00653995 0.99346005 0.50000000 1.0