# generated using pymatgen data_YTa6MnS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78870838 _cell_length_b 5.78870744 _cell_length_c 13.24245681 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000538 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTa6MnS12 _chemical_formula_sum 'Y1 Ta6 Mn1 S12' _cell_volume 384.29297566 _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 Y Y0 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta1 1 0.33333300 0.66666700 0.26170001 1.0 Ta Ta2 1 0.66666700 0.33333300 0.73829999 1.0 Ta Ta3 1 0.66666700 0.33333300 0.26170001 1.0 Ta Ta4 1 0.33333300 0.66666700 0.73829999 1.0 Ta Ta5 1 0.00000000 0.00000000 0.26126451 1.0 Ta Ta6 1 0.00000000 0.00000000 0.73873549 1.0 Mn Mn7 1 0.00000000 0.00000000 0.50000000 1.0 S S8 1 0.33683646 0.00000000 0.14278476 1.0 S S9 1 1.00000000 0.33683646 0.14278476 1.0 S S10 1 0.66316354 0.66316354 0.14278476 1.0 S S11 1 0.33739199 0.33739199 0.62106849 1.0 S S12 1 0.66260801 0.66260801 0.37893151 1.0 S S13 1 0.66260801 0.00000000 0.62106849 1.0 S S14 1 1.00000000 0.66260801 0.62106849 1.0 S S15 1 0.00000000 0.66316354 0.85721524 1.0 S S16 1 0.33683646 0.33683646 0.85721524 1.0 S S17 1 0.00000000 0.33739199 0.37893151 1.0 S S18 1 0.33739199 0.00000000 0.37893151 1.0 S S19 1 0.66316354 0.00000000 0.85721524 1.0