# generated using pymatgen data_Cs7B12(IrPt)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41089816 _cell_length_b 9.41089818 _cell_length_c 9.41089806 _cell_angle_alpha 111.52944902 _cell_angle_beta 111.52946024 _cell_angle_gamma 111.52945607 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs7B12(IrPt)6 _chemical_formula_sum 'Cs7 B12 Ir6 Pt6' _cell_volume 587.66457438 _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 Cs Cs0 1 0.99504972 0.73437338 0.73437338 1.0 Cs Cs1 1 0.73437338 0.73437338 0.99504972 1.0 Cs Cs2 1 0.73437338 0.99504972 0.73437338 1.0 Cs Cs3 1 0.26562662 0.00495028 0.26562662 1.0 Cs Cs4 1 0.00495028 0.26562662 0.26562662 1.0 Cs Cs5 1 0.26562662 0.26562662 0.00495028 1.0 Cs Cs6 1 0.50000000 0.50000000 0.50000000 1.0 B B7 1 0.26645582 0.73354418 0.50000000 1.0 B B8 1 0.73354418 0.50000000 0.26645582 1.0 B B9 1 0.50000000 0.26645582 0.73354418 1.0 B B10 1 0.73354418 0.26645582 0.50000000 1.0 B B11 1 0.26645582 0.50000000 0.73354418 1.0 B B12 1 0.50000000 0.73354418 0.26645582 1.0 B B13 1 0.06078745 0.93921255 0.50000000 1.0 B B14 1 0.93921255 0.50000000 0.06078745 1.0 B B15 1 0.50000000 0.06078745 0.93921255 1.0 B B16 1 0.93921255 0.06078745 0.50000000 1.0 B B17 1 0.06078745 0.50000000 0.93921255 1.0 B B18 1 0.50000000 0.93921255 0.06078745 1.0 Ir Ir19 1 0.67222249 0.32777751 0.00000000 1.0 Ir Ir20 1 0.32777751 1.00000000 0.67222249 1.0 Ir Ir21 1 1.00000000 0.67222249 0.32777751 1.0 Ir Ir22 1 0.32777751 0.67222249 1.00000000 1.0 Ir Ir23 1 0.67222249 0.00000000 0.32777751 1.0 Ir Ir24 1 0.00000000 0.32777751 0.67222249 1.0 Pt Pt25 1 0.63806938 0.24355362 0.24355362 1.0 Pt Pt26 1 0.24355362 0.24355362 0.63806938 1.0 Pt Pt27 1 0.24355362 0.63806938 0.24355362 1.0 Pt Pt28 1 0.75644638 0.36193062 0.75644638 1.0 Pt Pt29 1 0.36193062 0.75644638 0.75644638 1.0 Pt Pt30 1 0.75644638 0.75644638 0.36193062 1.0