# generated using pymatgen data_SmEr3(BeSi3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81371670 _cell_length_b 7.81371705 _cell_length_c 8.05494010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999852 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmEr3(BeSi3)2 _chemical_formula_sum 'Sm2 Er6 Be4 Si12' _cell_volume 425.90064164 _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 0.00000000 0.00000000 0.25000000 1.0 Sm Sm1 1 0.00000000 0.00000000 0.75000000 1.0 Er Er2 1 0.49982843 0.50017157 0.25000000 1.0 Er Er3 1 0.49982843 0.99965585 0.25000000 1.0 Er Er4 1 0.00034415 0.50017157 0.25000000 1.0 Er Er5 1 0.50017157 0.49982843 0.75000000 1.0 Er Er6 1 0.99965585 0.49982843 0.75000000 1.0 Er Er7 1 0.50017157 0.00034415 0.75000000 1.0 Be Be8 1 0.66666700 0.33333300 0.49874761 1.0 Be Be9 1 0.66666700 0.33333300 0.00125239 1.0 Be Be10 1 0.33333300 0.66666700 0.99874761 1.0 Be Be11 1 0.33333300 0.66666700 0.50125239 1.0 Si Si12 1 0.82697935 0.17302065 0.49997476 1.0 Si Si13 1 0.82697935 0.65395971 0.49997476 1.0 Si Si14 1 0.34604029 0.17302065 0.49997476 1.0 Si Si15 1 0.82697935 0.17302065 0.00002524 1.0 Si Si16 1 0.82697935 0.65395971 0.00002524 1.0 Si Si17 1 0.34604029 0.17302065 0.00002524 1.0 Si Si18 1 0.17302065 0.82697935 0.99997476 1.0 Si Si19 1 0.65395971 0.82697935 0.99997476 1.0 Si Si20 1 0.17302065 0.34604029 0.99997476 1.0 Si Si21 1 0.17302065 0.82697935 0.50002524 1.0 Si Si22 1 0.65395971 0.82697935 0.50002524 1.0 Si Si23 1 0.17302065 0.34604029 0.50002524 1.0