# generated using pymatgen data_PrMn(NbS2)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74646966 _cell_length_b 6.74646935 _cell_length_c 13.44407929 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000152 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrMn(NbS2)8 _chemical_formula_sum 'Pr1 Mn1 Nb8 S16' _cell_volume 529.92549342 _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 Pr Pr0 1 0.00000000 0.00000000 0.00000000 1.0 Mn Mn1 1 0.00000000 0.00000000 0.50000000 1.0 Nb Nb2 1 0.98729671 0.49364886 0.26911818 1.0 Nb Nb3 1 0.01270329 0.50635114 0.73088182 1.0 Nb Nb4 1 0.49364886 0.50635114 0.73088182 1.0 Nb Nb5 1 0.50635114 0.01270329 0.26911818 1.0 Nb Nb6 1 0.00000000 0.00000000 0.73260518 1.0 Nb Nb7 1 0.00000000 0.00000000 0.26739482 1.0 Nb Nb8 1 0.50635114 0.49364886 0.26911818 1.0 Nb Nb9 1 0.49364886 0.98729671 0.73088182 1.0 S S10 1 0.33333300 0.66666700 0.61301280 1.0 S S11 1 0.66666700 0.33333300 0.14895908 1.0 S S12 1 0.66666700 0.33333300 0.38698720 1.0 S S13 1 0.33333300 0.66666700 0.85104092 1.0 S S14 1 0.16794671 0.33589442 0.38384263 1.0 S S15 1 0.83089428 0.16910572 0.84736084 1.0 S S16 1 0.33821044 0.16910572 0.84736084 1.0 S S17 1 0.66410558 0.83205329 0.38384263 1.0 S S18 1 0.16794671 0.83205329 0.38384263 1.0 S S19 1 0.83089428 0.66178956 0.84736084 1.0 S S20 1 0.16910572 0.33821044 0.15263916 1.0 S S21 1 0.83205329 0.16794671 0.61615737 1.0 S S22 1 0.33589442 0.16794671 0.61615737 1.0 S S23 1 0.66178956 0.83089428 0.15263916 1.0 S S24 1 0.16910572 0.83089428 0.15263916 1.0 S S25 1 0.83205329 0.66410558 0.61615737 1.0