# generated using pymatgen data_Al2Re3B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60617087 _cell_length_b 7.60617087 _cell_length_c 7.60617087 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al2Re3B _chemical_formula_sum 'Al8 Re12 B4' _cell_volume 311.15962133 _cell_formula_units_Z 4 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 0.91413700 0.91413700 0.25758800 1.0 Al Al1 1 0.33586300 0.33586300 0.33586300 1.0 Al Al2 1 0.25758800 0.91413700 0.91413700 1.0 Al Al3 1 0.33586300 0.99241200 0.33586300 1.0 Al Al4 1 0.99241200 0.33586300 0.33586300 1.0 Al Al5 1 0.33586300 0.33586300 0.99241200 1.0 Al Al6 1 0.91413700 0.91413700 0.91413700 1.0 Al Al7 1 0.91413700 0.25758800 0.91413700 1.0 Re Re8 1 0.69175900 0.69175900 0.30824100 1.0 Re Re9 1 0.30824100 0.69175900 0.30824100 1.0 Re Re10 1 0.55824100 0.94175900 0.55824100 1.0 Re Re11 1 0.55824100 0.94175900 0.94175900 1.0 Re Re12 1 0.94175900 0.55824100 0.55824100 1.0 Re Re13 1 0.94175900 0.55824100 0.94175900 1.0 Re Re14 1 0.30824100 0.30824100 0.69175900 1.0 Re Re15 1 0.55824100 0.55824100 0.94175900 1.0 Re Re16 1 0.30824100 0.69175900 0.69175900 1.0 Re Re17 1 0.69175900 0.30824100 0.30824100 1.0 Re Re18 1 0.94175900 0.94175900 0.55824100 1.0 Re Re19 1 0.69175900 0.30824100 0.69175900 1.0 B B20 1 0.12500000 0.12500000 0.12500000 1.0 B B21 1 0.12500000 0.12500000 0.62500000 1.0 B B22 1 0.62500000 0.12500000 0.12500000 1.0 B B23 1 0.12500000 0.62500000 0.12500000 1.0