# generated using pymatgen data_SrNb6CrSe12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07822645 _cell_length_b 6.07822628 _cell_length_c 14.27657240 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000633 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrNb6CrSe12 _chemical_formula_sum 'Sr1 Nb6 Cr1 Se12' _cell_volume 456.78127892 _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 Sr Sr0 1 0.33333300 0.66666700 0.25000000 1.0 Nb Nb1 1 0.33333300 0.66666700 0.97282348 1.0 Nb Nb2 1 0.00000000 0.00000000 0.97185944 1.0 Nb Nb3 1 0.00000000 0.00000000 0.52814056 1.0 Nb Nb4 1 0.33333300 0.66666700 0.52717652 1.0 Nb Nb5 1 0.66666700 0.33333300 0.97281148 1.0 Nb Nb6 1 0.66666700 0.33333300 0.52718852 1.0 Cr Cr7 1 0.66666700 0.33333300 0.75000000 1.0 Se Se8 1 0.33260328 0.00412265 0.08931467 1.0 Se Se9 1 0.66595897 0.99670467 0.64343818 1.0 Se Se10 1 0.99587735 0.32847963 0.08931467 1.0 Se Se11 1 0.67152037 0.00412265 0.41068533 1.0 Se Se12 1 0.33260328 0.32847963 0.41068533 1.0 Se Se13 1 0.99587735 0.66739672 0.41068533 1.0 Se Se14 1 0.67152037 0.66739672 0.08931467 1.0 Se Se15 1 0.33074571 0.33404103 0.64343818 1.0 Se Se16 1 0.00329533 0.66925429 0.64343818 1.0 Se Se17 1 0.33074571 0.99670467 0.85656182 1.0 Se Se18 1 0.66595897 0.66925429 0.85656182 1.0 Se Se19 1 0.00329533 0.33404103 0.85656182 1.0