# generated using pymatgen data_Ba2B2Pt7Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70180234 _cell_length_b 5.70180179 _cell_length_c 7.54731854 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999749 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2B2Pt7Au _chemical_formula_sum 'Ba2 B2 Pt7 Au1' _cell_volume 212.49445238 _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 Ba Ba0 1 0.00000000 0.00000000 0.50000000 1.0 Ba Ba1 1 0.00000000 0.00000000 0.00000000 1.0 B B2 1 0.33333300 0.66666700 0.00000000 1.0 B B3 1 0.66666700 0.33333300 0.00000000 1.0 Pt Pt4 1 0.66666700 0.33333300 0.50000000 1.0 Pt Pt5 1 0.50101153 0.00202306 0.19553521 1.0 Pt Pt6 1 0.50101153 0.00202306 0.80446479 1.0 Pt Pt7 1 0.99797694 0.49898847 0.19553521 1.0 Pt Pt8 1 0.99797694 0.49898847 0.80446479 1.0 Pt Pt9 1 0.50101153 0.49898847 0.19553521 1.0 Pt Pt10 1 0.50101153 0.49898847 0.80446479 1.0 Au Au11 1 0.33333300 0.66666700 0.50000000 1.0