# generated using pymatgen data_Nb4VSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99518383 _cell_length_b 6.99515007 _cell_length_c 12.82978722 _cell_angle_alpha 90.00149389 _cell_angle_beta 89.99872249 _cell_angle_gamma 120.00015257 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4VSe8 _chemical_formula_sum 'Nb8 V2 Se16' _cell_volume 543.68279002 _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 Nb Nb0 1 0.00000003 0.00000131 0.24999249 1.0 Nb Nb1 1 0.99999489 0.00000182 0.74998991 1.0 Nb Nb2 1 0.50785034 0.01570255 0.25000852 1.0 Nb Nb3 1 0.49216765 0.98431977 0.74999090 1.0 Nb Nb4 1 0.98429545 0.49215240 0.25000617 1.0 Nb Nb5 1 0.01568046 0.50783194 0.74999146 1.0 Nb Nb6 1 0.50785740 0.49214798 0.25000382 1.0 Nb Nb7 1 0.49216476 0.50783450 0.74999083 1.0 V V8 1 0.00000020 -0.00000105 -0.00002079 1.0 V V9 1 0.00000448 -0.00000573 0.50000623 1.0 Se Se10 1 0.33333540 0.66666256 0.61613641 1.0 Se Se11 1 0.66666477 0.33333264 0.38385795 1.0 Se Se12 1 0.66665164 0.33334795 0.11618475 1.0 Se Se13 1 0.33334036 0.66666075 0.88384096 1.0 Se Se14 1 0.16760787 0.33521639 0.12133751 1.0 Se Se15 1 0.83241538 0.66482847 0.87869191 1.0 Se Se16 1 0.66478185 0.83239243 0.12133974 1.0 Se Se17 1 0.83241057 0.66481303 0.62129176 1.0 Se Se18 1 0.33516522 0.16757990 0.87869026 1.0 Se Se19 1 0.16760472 0.33521122 0.37868494 1.0 Se Se20 1 0.16760557 0.83239684 0.12133644 1.0 Se Se21 1 0.33518251 0.16758850 0.62129094 1.0 Se Se22 1 0.83241779 0.16758351 0.87868247 1.0 Se Se23 1 0.66480191 0.83240284 0.37869315 1.0 Se Se24 1 0.83240217 0.16759353 0.62129100 1.0 Se Se25 1 0.16759659 0.83240195 0.37868925 1.0