# generated using pymatgen data_Ba2Yb3Si7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.12324665 _cell_length_b 9.12324698 _cell_length_c 4.05749455 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000598 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Yb3Si7 _chemical_formula_sum 'Ba2 Yb3 Si7' _cell_volume 292.47409097 _cell_formula_units_Z 1 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 Ba Ba0 1 0.33333300 0.66666700 0.00000000 1.0 Ba Ba1 1 0.66666700 0.33333300 0.00000000 1.0 Yb Yb2 1 0.00000000 0.75135269 0.50000000 1.0 Yb Yb3 1 0.24864731 0.24864731 0.50000000 1.0 Yb Yb4 1 0.75135269 0.00000000 0.50000000 1.0 Si Si5 1 0.00000000 0.00000000 0.00000000 1.0 Si Si6 1 1.00000000 0.25876796 0.00000000 1.0 Si Si7 1 0.74123204 0.74123204 0.00000000 1.0 Si Si8 1 0.25876796 1.00000000 0.00000000 1.0 Si Si9 1 1.00000000 0.40304036 0.50000000 1.0 Si Si10 1 0.59695964 0.59695964 0.50000000 1.0 Si Si11 1 0.40304036 1.00000000 0.50000000 1.0