# generated using pymatgen data_La6Si7Br3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15349208 _cell_length_b 11.89989926 _cell_length_c 16.97593138 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural La6Si7Br3 _chemical_formula_sum 'La12 Si14 Br6' _cell_volume 839.05471568 _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 La La0 1 0.50000000 0.34210757 0.50000000 1.0 La La1 1 0.00000000 0.65789243 0.00000000 1.0 La La2 1 0.50000000 0.35652153 0.75596633 1.0 La La3 1 -0.00000000 0.64347847 0.74403367 1.0 La La4 1 0.50000000 0.35652153 0.24403367 1.0 La La5 1 -0.00000000 0.64347847 0.25596633 1.0 La La6 1 0.50000000 0.06599746 0.88079798 1.0 La La7 1 -0.00000000 0.93400254 0.61920202 1.0 La La8 1 0.50000000 0.06599746 0.11920202 1.0 La La9 1 -0.00000000 0.93400254 0.38079798 1.0 La La10 1 0.50000000 0.35801846 0.00000000 1.0 La La11 1 0.00000000 0.64198154 0.50000000 1.0 Si Si12 1 0.00000000 0.15336349 0.00000000 1.0 Si Si13 1 0.50000000 0.84663651 0.50000000 1.0 Si Si14 1 0.50000000 0.56383053 0.87691731 1.0 Si Si15 1 -0.00000000 0.43616947 0.62308269 1.0 Si Si16 1 0.50000000 0.56383053 0.12308269 1.0 Si Si17 1 -0.00000000 0.43616947 0.37691731 1.0 Si Si18 1 -0.00000000 0.25547811 0.87639716 1.0 Si Si19 1 0.50000000 0.74452189 0.62360284 1.0 Si Si20 1 -0.00000000 0.25547811 0.12360284 1.0 Si Si21 1 0.50000000 0.74452189 0.37639716 1.0 Si Si22 1 0.00000000 0.45807644 0.87568626 1.0 Si Si23 1 0.50000000 0.54192356 0.62431374 1.0 Si Si24 1 0.50000000 0.54192356 0.37568626 1.0 Si Si25 1 0.00000000 0.45807644 0.12431374 1.0 Br Br26 1 0.50000000 0.10783618 0.69224435 1.0 Br Br27 1 -0.00000000 0.89216382 0.80775565 1.0 Br Br28 1 0.00000000 0.13770457 0.50000000 1.0 Br Br29 1 0.50000000 0.86229543 0.00000000 1.0 Br Br30 1 0.50000000 0.10783618 0.30775565 1.0 Br Br31 1 0.00000000 0.89216382 0.19224435 1.0