# generated using pymatgen data_AlBr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.42385373 _cell_length_b 13.42385373 _cell_length_c 13.42385373 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlBr4 _chemical_formula_sum 'Al6 Br24' _cell_volume 1710.47462518 _cell_formula_units_Z 6 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 Al Al0 1 0.75000000 0.25000000 0.25000000 1.0 Al Al1 1 0.75000000 0.75000000 0.25000000 1.0 Al Al2 1 0.25000000 0.75000000 0.75000000 1.0 Al Al3 1 0.75000000 0.25000000 0.75000000 1.0 Al Al4 1 0.25000000 0.25000000 0.75000000 1.0 Al Al5 1 0.25000000 0.75000000 0.25000000 1.0 Br Br6 1 0.28197000 0.91974900 0.08025100 1.0 Br Br7 1 0.08025100 0.91974900 0.71803000 1.0 Br Br8 1 0.71803000 0.91974900 0.28197000 1.0 Br Br9 1 0.91974900 0.08025100 0.28197000 1.0 Br Br10 1 0.08025100 0.28197000 0.91974900 1.0 Br Br11 1 0.71803000 0.08025100 0.91974900 1.0 Br Br12 1 0.91974900 0.28197000 0.71803000 1.0 Br Br13 1 0.21803000 0.78197000 0.41974900 1.0 Br Br14 1 0.91974900 0.71803000 0.08025100 1.0 Br Br15 1 0.28197000 0.71803000 0.91974900 1.0 Br Br16 1 0.41974900 0.21803000 0.78197000 1.0 Br Br17 1 0.78197000 0.41974900 0.21803000 1.0 Br Br18 1 0.28197000 0.08025100 0.71803000 1.0 Br Br19 1 0.71803000 0.28197000 0.08025100 1.0 Br Br20 1 0.58025100 0.78197000 0.21803000 1.0 Br Br21 1 0.41974900 0.78197000 0.58025100 1.0 Br Br22 1 0.08025100 0.71803000 0.28197000 1.0 Br Br23 1 0.78197000 0.21803000 0.58025100 1.0 Br Br24 1 0.58025100 0.41974900 0.78197000 1.0 Br Br25 1 0.58025100 0.21803000 0.41974900 1.0 Br Br26 1 0.21803000 0.41974900 0.58025100 1.0 Br Br27 1 0.21803000 0.58025100 0.78197000 1.0 Br Br28 1 0.78197000 0.58025100 0.41974900 1.0 Br Br29 1 0.41974900 0.58025100 0.21803000 1.0