# generated using pymatgen data_La4B4Br5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42254441 _cell_length_b 9.42254441 _cell_length_c 19.54959030 _cell_angle_alpha 64.44347001 _cell_angle_beta 64.44347001 _cell_angle_gamma 26.43183671 _symmetry_Int_Tables_number 1 _chemical_formula_structural La4B4Br5 _chemical_formula_sum 'La8 B8 Br10' _cell_volume 692.61429267 _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 0.61073026 0.61073026 0.72663496 1.0 La La1 1 0.38926974 0.38926974 0.27336504 1.0 La La2 1 0.99391535 0.99391535 0.62804790 1.0 La La3 1 0.00608465 0.00608465 0.37195210 1.0 La La4 1 0.31373871 0.31373871 0.80164662 1.0 La La5 1 0.68626129 0.68626129 0.19835338 1.0 La La6 1 0.93043425 0.93043425 0.91109570 1.0 La La7 1 0.06956575 0.06956575 0.08890430 1.0 B B8 1 0.14496382 0.77642914 0.76973963 1.0 B B9 1 0.22357086 0.85503618 0.23026037 1.0 B B10 1 0.85503618 0.22357086 0.23026037 1.0 B B11 1 0.77642914 0.14496382 0.76973963 1.0 B B12 1 0.44877847 0.44877847 0.82308340 1.0 B B13 1 0.55122153 0.55122153 0.17691660 1.0 B B14 1 0.47246312 0.47246312 0.71574689 1.0 B B15 1 0.52753688 0.52753688 0.28425311 1.0 Br Br16 1 0.17289180 0.17289180 0.59931146 1.0 Br Br17 1 0.82710820 0.82710820 0.40068854 1.0 Br Br18 1 0.12608648 0.12608648 0.83309646 1.0 Br Br19 1 0.87391352 0.87391352 0.16690354 1.0 Br Br20 1 0.74249315 0.74249315 0.92803795 1.0 Br Br21 1 0.25750685 0.25750685 0.07196205 1.0 Br Br22 1 0.80533011 0.80533011 0.68705096 1.0 Br Br23 1 0.19466989 0.19466989 0.31294904 1.0 Br Br24 1 0.50000000 0.50000000 0.50000000 1.0 Br Br25 1 0.50000000 0.50000000 0.00000000 1.0