# generated using pymatgen data_BaBPdPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17032938 _cell_length_b 5.66043735 _cell_length_c 12.03109410 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBPdPt3 _chemical_formula_sum 'Ba4 B4 Pd4 Pt12' _cell_volume 420.20717106 _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 Ba Ba0 1 0.18115437 0.25000000 0.33399844 1.0 Ba Ba1 1 0.68115437 0.25000000 0.16600156 1.0 Ba Ba2 1 0.81884563 0.75000000 0.66600156 1.0 Ba Ba3 1 0.31884563 0.75000000 0.83399844 1.0 B B4 1 0.09491127 0.25000000 0.95060995 1.0 B B5 1 0.59491127 0.25000000 0.54939005 1.0 B B6 1 0.90508873 0.75000000 0.04939005 1.0 B B7 1 0.40508873 0.75000000 0.45060995 1.0 Pd Pd8 1 0.43636915 0.25000000 0.94149486 1.0 Pd Pd9 1 0.93636915 0.25000000 0.55850514 1.0 Pd Pd10 1 0.56363085 0.75000000 0.05850514 1.0 Pd Pd11 1 0.06363085 0.75000000 0.44149486 1.0 Pt Pt12 1 0.10642282 0.25000000 0.76610413 1.0 Pt Pt13 1 0.60642282 0.25000000 0.73389587 1.0 Pt Pt14 1 0.89357718 0.75000000 0.23389587 1.0 Pt Pt15 1 0.39357718 0.75000000 0.26610413 1.0 Pt Pt16 1 0.33164345 0.00595809 0.58346671 1.0 Pt Pt17 1 0.83164345 0.49404191 0.91653329 1.0 Pt Pt18 1 0.66835655 0.50595809 0.41653329 1.0 Pt Pt19 1 0.16835655 0.99404191 0.08346671 1.0 Pt Pt20 1 0.66835655 0.99404191 0.41653329 1.0 Pt Pt21 1 0.16835655 0.50595809 0.08346671 1.0 Pt Pt22 1 0.33164345 0.49404191 0.58346671 1.0 Pt Pt23 1 0.83164345 0.00595809 0.91653329 1.0