# generated using pymatgen data_Mn(NbSe2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.02044176 _cell_length_b 7.02046942 _cell_length_c 13.09151533 _cell_angle_alpha 89.99883107 _cell_angle_beta 90.00121576 _cell_angle_gamma 119.99912172 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn(NbSe2)4 _chemical_formula_sum 'Mn2 Nb8 Se16' _cell_volume 558.79818507 _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 Mn Mn0 1 0.00000450 -0.00000250 0.49998615 1.0 Mn Mn1 1 0.00000162 -0.00000013 0.00000561 1.0 Nb Nb2 1 -0.00000508 0.00000711 0.24997469 1.0 Nb Nb3 1 0.00000314 -0.00000329 0.74999349 1.0 Nb Nb4 1 0.50939642 0.01879636 0.24999938 1.0 Nb Nb5 1 0.98120277 0.49059972 0.25000027 1.0 Nb Nb6 1 0.50939673 0.49060509 0.24999510 1.0 Nb Nb7 1 0.49058882 0.98117143 0.75004102 1.0 Nb Nb8 1 0.01883016 0.50941251 0.75004054 1.0 Nb Nb9 1 0.49058817 0.50941293 0.75004191 1.0 Se Se10 1 0.33333547 0.66666314 0.88276671 1.0 Se Se11 1 0.66667183 0.33332497 0.11731423 1.0 Se Se12 1 0.66665347 0.33334526 0.38268044 1.0 Se Se13 1 0.33333944 0.66666317 0.61735224 1.0 Se Se14 1 0.16897032 0.83103443 0.37511214 1.0 Se Se15 1 0.16896229 0.33793442 0.37511718 1.0 Se Se16 1 0.66205227 0.83102326 0.37511654 1.0 Se Se17 1 0.83103739 0.16896494 0.62484282 1.0 Se Se18 1 0.83104563 0.66209157 0.62484821 1.0 Se Se19 1 0.33790998 0.16895345 0.62484876 1.0 Se Se20 1 0.83104456 0.16896067 0.87513488 1.0 Se Se21 1 0.83103069 0.66206289 0.87514500 1.0 Se Se22 1 0.33793739 0.16896624 0.87514478 1.0 Se Se23 1 0.16897427 0.83103667 0.12483348 1.0 Se Se24 1 0.16894653 0.33792066 0.12483146 1.0 Se Se25 1 0.66207919 0.83105405 0.12483195 1.0