# generated using pymatgen data_Li3Ca4AlAu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39741775 _cell_length_b 7.29897193 _cell_length_c 8.20503038 _cell_angle_alpha 89.27512757 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ca4AlAu4 _chemical_formula_sum 'Li3 Ca4 Al1 Au4' _cell_volume 263.33273809 _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 0.75000000 0.86212564 0.06668571 1.0 Li Li1 1 0.25000000 0.14742573 0.93029083 1.0 Li Li2 1 0.25000000 0.64271338 0.56773880 1.0 Ca Ca3 1 0.25000000 0.01952561 0.31415236 1.0 Ca Ca4 1 0.25000000 0.52411037 0.18763545 1.0 Ca Ca5 1 0.75000000 0.98005057 0.68239377 1.0 Ca Ca6 1 0.75000000 0.47529779 0.81377787 1.0 Al Al7 1 0.75000000 0.35090164 0.43813977 1.0 Au Au8 1 0.25000000 0.77303238 0.88566694 1.0 Au Au9 1 0.75000000 0.23305676 0.12685513 1.0 Au Au10 1 0.75000000 0.71302158 0.39031373 1.0 Au Au11 1 0.25000000 0.27873657 0.59634964 1.0