# generated using pymatgen data_BPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35452471 _cell_length_b 6.42396433 _cell_length_c 8.17395188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.68616734 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPd5 _chemical_formula_sum 'B4 Pd20' _cell_volume 333.66584670 _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 B B0 1 0.55556396 0.65925595 0.36669113 1.0 B B1 1 0.05556396 0.15925595 0.13330887 1.0 B B2 1 0.44443604 0.34074405 0.63330887 1.0 B B3 1 0.94443604 0.84074405 0.86669113 1.0 Pd Pd4 1 0.55030433 0.65080238 0.11670943 1.0 Pd Pd5 1 0.05030433 0.15080238 0.38329057 1.0 Pd Pd6 1 0.44969567 0.34919762 0.88329057 1.0 Pd Pd7 1 0.94969567 0.84919762 0.61670943 1.0 Pd Pd8 1 0.55163458 0.65140999 0.62648885 1.0 Pd Pd9 1 0.05163458 0.15140999 0.87351115 1.0 Pd Pd10 1 0.44836542 0.34859001 0.37351115 1.0 Pd Pd11 1 0.94836542 0.84859001 0.12648885 1.0 Pd Pd12 1 0.65327107 0.95999864 0.37510642 1.0 Pd Pd13 1 0.15327107 0.45999864 0.12489358 1.0 Pd Pd14 1 0.34672893 0.04000136 0.62489358 1.0 Pd Pd15 1 0.84672893 0.54000136 0.87510642 1.0 Pd Pd16 1 0.64072077 0.95157696 0.87380100 1.0 Pd Pd17 1 0.14072077 0.45157696 0.62619900 1.0 Pd Pd18 1 0.35927923 0.04842304 0.12619900 1.0 Pd Pd19 1 0.85927923 0.54842304 0.37380100 1.0 Pd Pd20 1 0.74450363 0.25398896 0.12594051 1.0 Pd Pd21 1 0.24450363 0.75398896 0.37405949 1.0 Pd Pd22 1 0.25549637 0.74601104 0.87405949 1.0 Pd Pd23 1 0.75549637 0.24601104 0.62594051 1.0