# generated using pymatgen data_Tb3Lu2Pb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04679567 _cell_length_b 9.04679472 _cell_length_c 6.61705702 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999992 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Lu2Pb3S _chemical_formula_sum 'Tb6 Lu4 Pb6 S2' _cell_volume 469.01315735 _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 Tb Tb0 1 0.75514934 0.75514934 0.75000000 1.0 Tb Tb1 1 0.24485066 1.00000000 0.75000000 1.0 Tb Tb2 1 0.00000000 0.24485066 0.75000000 1.0 Tb Tb3 1 0.24485066 0.24485066 0.25000000 1.0 Tb Tb4 1 0.75514934 0.00000000 0.25000000 1.0 Tb Tb5 1 1.00000000 0.75514934 0.25000000 1.0 Lu Lu6 1 0.66666700 0.33333300 0.00000000 1.0 Lu Lu7 1 0.33333300 0.66666700 0.00000000 1.0 Lu Lu8 1 0.33333300 0.66666700 0.50000000 1.0 Lu Lu9 1 0.66666700 0.33333300 0.50000000 1.0 Pb Pb10 1 0.39839347 0.39839347 0.75000000 1.0 Pb Pb11 1 0.60160653 1.00000000 0.75000000 1.0 Pb Pb12 1 0.00000000 0.60160653 0.75000000 1.0 Pb Pb13 1 0.60160653 0.60160653 0.25000000 1.0 Pb Pb14 1 0.39839347 0.00000000 0.25000000 1.0 Pb Pb15 1 1.00000000 0.39839347 0.25000000 1.0 S S16 1 0.00000000 0.00000000 0.00000000 1.0 S S17 1 0.00000000 0.00000000 0.50000000 1.0