# generated using pymatgen data_Mg(NbS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74713169 _cell_length_b 6.74713046 _cell_length_c 12.85504122 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000601 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg(NbS2)4 _chemical_formula_sum 'Mg2 Nb8 S16' _cell_volume 506.80672948 _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 Mg Mg0 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1.0 Nb Nb2 1 0.50546330 0.49453670 0.75000000 1.0 Nb Nb3 1 0.01092660 0.50546330 0.25000000 1.0 Nb Nb4 1 0.49453670 0.98907340 0.25000000 1.0 Nb Nb5 1 0.50546330 0.01092660 0.75000000 1.0 Nb Nb6 1 0.98907340 0.49453670 0.75000000 1.0 Nb Nb7 1 0.49453670 0.50546330 0.25000000 1.0 Nb Nb8 1 0.00000000 0.00000000 0.75000000 1.0 Nb Nb9 1 0.00000000 0.00000000 0.25000000 1.0 S S10 1 0.83221922 0.16778078 0.37084998 1.0 S S11 1 0.83221922 0.66443843 0.37084998 1.0 S S12 1 0.33556157 0.16778078 0.37084998 1.0 S S13 1 0.66443843 0.83221922 0.87084998 1.0 S S14 1 0.16778078 0.33556157 0.62915002 1.0 S S15 1 0.16778078 0.83221922 0.87084998 1.0 S S16 1 0.16778078 0.33556157 0.87084998 1.0 S S17 1 0.83221922 0.16778078 0.12915002 1.0 S S18 1 0.33556157 0.16778078 0.12915002 1.0 S S19 1 0.66443843 0.83221922 0.62915002 1.0 S S20 1 0.33333300 0.66666700 0.12703619 1.0 S S21 1 0.66666700 0.33333300 0.62703619 1.0 S S22 1 0.66666700 0.33333300 0.87296381 1.0 S S23 1 0.33333300 0.66666700 0.37296381 1.0 S S24 1 0.83221922 0.66443843 0.12915002 1.0 S S25 1 0.16778078 0.83221922 0.62915002 1.0