# generated using pymatgen data_SmBe13 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26786172 _cell_length_b 7.26786172 _cell_length_c 7.26786172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmBe13 _chemical_formula_sum 'Sm2 Be26' _cell_volume 271.45945331 _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 Sm Sm0 1 0.75000000 0.75000000 0.75000000 1.0 Sm Sm1 1 0.25000000 0.25000000 0.25000000 1.0 Be Be2 1 0.00000000 0.00000000 -0.00000000 1.0 Be Be3 1 0.50000000 0.50000000 0.50000000 1.0 Be Be4 1 0.06258466 0.93741534 0.71117168 1.0 Be Be5 1 0.93741534 0.06258466 0.28882832 1.0 Be Be6 1 0.28882832 0.71117168 0.93741534 1.0 Be Be7 1 0.71117168 0.28882832 0.06258466 1.0 Be Be8 1 0.93741534 0.71117168 0.06258466 1.0 Be Be9 1 0.21117168 0.56258466 0.78882832 1.0 Be Be10 1 0.06258466 0.28882832 0.93741534 1.0 Be Be11 1 0.78882832 0.43741534 0.21117168 1.0 Be Be12 1 0.71117168 0.93741534 0.28882832 1.0 Be Be13 1 0.43741534 0.78882832 0.56258466 1.0 Be Be14 1 0.28882832 0.06258466 0.71117168 1.0 Be Be15 1 0.56258466 0.21117168 0.43741534 1.0 Be Be16 1 0.71117168 0.06258466 0.93741534 1.0 Be Be17 1 0.21117168 0.78882832 0.43741534 1.0 Be Be18 1 0.28882832 0.93741534 0.06258466 1.0 Be Be19 1 0.78882832 0.21117168 0.56258466 1.0 Be Be20 1 0.06258466 0.71117168 0.28882832 1.0 Be Be21 1 0.56258466 0.43741534 0.78882832 1.0 Be Be22 1 0.93741534 0.28882832 0.71117168 1.0 Be Be23 1 0.43741534 0.56258466 0.21117168 1.0 Be Be24 1 0.56258466 0.78882832 0.21117168 1.0 Be Be25 1 0.43741534 0.21117168 0.78882832 1.0 Be Be26 1 0.78882832 0.56258466 0.43741534 1.0 Be Be27 1 0.21117168 0.43741534 0.56258466 1.0