# generated using pymatgen data_Mo6PbSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.63072033 _cell_length_b 8.22058487 _cell_length_c 12.18330300 _cell_angle_alpha 36.18384248 _cell_angle_beta 149.48777294 _cell_angle_gamma 129.59853700 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mo6PbSe8 _chemical_formula_sum 'Mo6 Pb1 Se8' _cell_volume 372.03169459 _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 Mo Mo0 1 0.20531600 0.81526800 0.93117000 1.0 Mo Mo1 1 0.34628500 0.64909700 0.31970000 1.0 Mo Mo2 1 0.29343400 0.22918800 0.87994800 1.0 Mo Mo3 1 0.79468400 0.18473200 0.06883000 1.0 Mo Mo4 1 0.65371500 0.35090300 0.68029900 1.0 Mo Mo5 1 0.70656600 0.77081200 0.12005200 1.0 Pb Pb6 1 0.00000000 0.00000000 0.00000000 1.0 Se Se7 1 0.13113200 0.32285800 0.36591800 1.0 Se Se8 1 0.46340900 0.05729700 0.30005400 1.0 Se Se9 1 0.91653000 0.28053700 0.46485100 1.0 Se Se10 1 0.86886800 0.67714200 0.63408200 1.0 Se Se11 1 0.53659100 0.94270300 0.69994600 1.0 Se Se12 1 0.08347000 0.71946300 0.53514900 1.0 Se Se13 1 0.43124700 0.69689100 0.03276600 1.0 Se Se14 1 0.56875300 0.30310900 0.96723400 1.0