# generated using pymatgen data_Pr12Ru3PtCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.24727088 _cell_length_b 10.24727026 _cell_length_c 10.20785367 _cell_angle_alpha 109.39332134 _cell_angle_beta 109.39332013 _cell_angle_gamma 109.54900716 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr12Ru3PtCl12 _chemical_formula_sum 'Pr12 Ru3 Pt1 Cl12' _cell_volume 825.93444843 _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 0.25742163 0.74054797 0.23514828 1.0 Pr Pr1 1 0.48312534 0.74054797 0.00539869 1.0 Pr Pr2 1 0.23893720 0.47787540 0.48893720 1.0 Pr Pr3 1 0.01010853 0.02022006 0.26010853 1.0 Pr Pr4 1 0.23893720 0.26106280 0.75000000 1.0 Pr Pr5 1 0.01010853 0.48989147 0.75000000 1.0 Pr Pr6 1 0.48312534 0.24257837 0.47772465 1.0 Pr Pr7 1 0.25742163 0.01687466 0.02227535 1.0 Pr Pr8 1 0.75945203 0.24257837 0.26485172 1.0 Pr Pr9 1 0.75945203 0.01687466 0.49460131 1.0 Pr Pr10 1 0.47977994 0.48989147 0.23989147 1.0 Pr Pr11 1 0.02212460 0.26106280 0.01106280 1.0 Ru Ru12 1 0.25008514 0.50017028 0.00008514 1.0 Ru Ru13 1 0.99982972 0.24991486 0.49991486 1.0 Ru Ru14 1 0.25008514 0.24991486 0.25000000 1.0 Pt Pt15 1 0.50000000 0.00000000 0.25000000 1.0 Cl Cl16 1 0.24890481 0.99730949 0.50064304 1.0 Cl Cl17 1 0.50655556 0.50327728 0.75327728 1.0 Cl Cl18 1 0.24890481 0.75159631 0.74826177 1.0 Cl Cl19 1 0.99731404 0.74865852 0.99865852 1.0 Cl Cl20 1 0.99672272 0.50327728 0.25000000 1.0 Cl Cl21 1 0.74840369 0.99730949 0.99666445 1.0 Cl Cl22 1 0.75134148 0.74865852 0.25000000 1.0 Cl Cl23 1 0.50269051 0.75159631 0.50333555 1.0 Cl Cl24 1 0.50269051 0.25109519 0.99935696 1.0 Cl Cl25 1 0.75134148 0.50268596 0.50134148 1.0 Cl Cl26 1 0.74840369 0.25109519 0.75173823 1.0 Cl Cl27 1 0.99672272 0.99344444 0.74672272 1.0