# generated using pymatgen data_Rb(NbSe2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08004987 _cell_length_b 6.08005118 _cell_length_c 17.95568508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999833 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb(NbSe2)3 _chemical_formula_sum 'Rb2 Nb6 Se12' _cell_volume 574.84001984 _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 Rb Rb0 1 0.00000000 0.00000000 0.00000000 1.0 Rb Rb1 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb3 1 0.00000000 0.00000000 0.25000000 1.0 Nb Nb4 1 0.33333300 0.66666700 0.25000000 1.0 Nb Nb5 1 0.66666700 0.33333300 0.75000000 1.0 Nb Nb6 1 0.66666700 0.33333300 0.25000000 1.0 Nb Nb7 1 0.33333300 0.66666700 0.75000000 1.0 Se Se8 1 0.33573503 0.00000000 0.15730636 1.0 Se Se9 1 1.00000000 0.33573503 0.15730636 1.0 Se Se10 1 0.66426497 0.66426497 0.15730636 1.0 Se Se11 1 0.33573503 0.33573503 0.65730636 1.0 Se Se12 1 0.66426497 0.66426497 0.34269364 1.0 Se Se13 1 0.66426497 1.00000000 0.65730636 1.0 Se Se14 1 0.00000000 0.66426497 0.65730636 1.0 Se Se15 1 0.00000000 0.66426497 0.84269364 1.0 Se Se16 1 0.33573503 0.33573503 0.84269364 1.0 Se Se17 1 1.00000000 0.33573503 0.34269364 1.0 Se Se18 1 0.33573503 0.00000000 0.34269364 1.0 Se Se19 1 0.66426497 1.00000000 0.84269364 1.0