# generated using pymatgen data_Li4Ca3LuSi8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77761204 _cell_length_b 7.85998056 _cell_length_c 10.46209982 _cell_angle_alpha 89.78254798 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li4Ca3LuSi8 _chemical_formula_sum 'Li4 Ca3 Lu1 Si8' _cell_volume 310.63798250 _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 Li Li0 1 0.25000000 0.99748048 0.38814184 1.0 Li Li1 1 0.75000000 0.00002572 0.61029891 1.0 Li Li2 1 0.25000000 0.49619764 0.10737703 1.0 Li Li3 1 0.75000000 0.51216417 0.88907139 1.0 Ca Ca4 1 0.75000000 0.86734364 0.13540447 1.0 Ca Ca5 1 0.25000000 0.63367924 0.63810587 1.0 Ca Ca6 1 0.75000000 0.36085146 0.36569279 1.0 Lu Lu7 1 0.25000000 0.12681814 0.86568049 1.0 Si Si8 1 0.75000000 0.26522849 0.05702171 1.0 Si Si9 1 0.25000000 0.74448732 0.93175605 1.0 Si Si10 1 0.75000000 0.76620818 0.43147829 1.0 Si Si11 1 0.25000000 0.22631470 0.57713871 1.0 Si Si12 1 0.75000000 0.84950975 0.82447957 1.0 Si Si13 1 0.25000000 0.16375531 0.16656630 1.0 Si Si14 1 0.75000000 0.32868180 0.68612483 1.0 Si Si15 1 0.25000000 0.66125397 0.32566077 1.0