# generated using pymatgen data_Ba5Ga6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84506234 _cell_length_b 7.84508510 _cell_length_c 14.62542000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00003982 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba5Ga6 _chemical_formula_sum 'Ba10 Ga12' _cell_volume 779.53005143 _cell_formula_units_Z 2 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 0.68126100 0.66315300 0.25000000 1.0 Ba Ba1 1 0.98189600 0.31874000 0.25000000 1.0 Ba Ba2 1 0.33685200 0.01810900 0.25000000 1.0 Ba Ba3 1 0.97864000 0.66816300 0.75000000 1.0 Ba Ba4 1 0.33182700 0.31047300 0.75000000 1.0 Ba Ba5 1 0.68952400 0.02135600 0.75000000 1.0 Ba Ba6 1 0.00001200 0.99999300 0.99794100 1.0 Ba Ba7 1 0.00001200 0.99999300 0.50205900 1.0 Ba Ba8 1 0.66666200 0.33333600 0.99841300 1.0 Ba Ba9 1 0.66666200 0.33333600 0.50158700 1.0 Ga Ga10 1 0.53375300 0.86942200 0.07740700 1.0 Ga Ga11 1 0.33568200 0.46624100 0.07741000 1.0 Ga Ga12 1 0.13057100 0.66431500 0.07740800 1.0 Ga Ga13 1 0.53375300 0.86942200 0.42259300 1.0 Ga Ga14 1 0.33568200 0.46624100 0.42259000 1.0 Ga Ga15 1 0.13057100 0.66431500 0.42259200 1.0 Ga Ga16 1 0.32867800 0.86533100 0.57813800 1.0 Ga Ga17 1 0.13467300 0.46333600 0.57813500 1.0 Ga Ga18 1 0.53666900 0.67132900 0.57813900 1.0 Ga Ga19 1 0.32867800 0.86533100 0.92186200 1.0 Ga Ga20 1 0.13467300 0.46333600 0.92186500 1.0 Ga Ga21 1 0.53666900 0.67132900 0.92186100 1.0