# generated using pymatgen data_Ta9MnS16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65831342 _cell_length_b 6.65831338 _cell_length_c 12.53494402 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000514 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta9MnS16 _chemical_formula_sum 'Ta9 Mn1 S16' _cell_volume 481.26189166 _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 Ta Ta0 1 0.50630309 0.49369691 0.74881326 1.0 Ta Ta1 1 0.01260417 0.50630309 0.25118674 1.0 Ta Ta2 1 0.49369691 0.98739583 0.25118674 1.0 Ta Ta3 1 0.50630309 0.01260417 0.74881326 1.0 Ta Ta4 1 0.98739583 0.49369691 0.74881326 1.0 Ta Ta5 1 0.49369691 0.50630309 0.25118674 1.0 Ta Ta6 1 0.00000000 0.00000000 0.75003469 1.0 Ta Ta7 1 0.00000000 0.00000000 0.24996531 1.0 Ta Ta8 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn9 1 0.00000000 0.00000000 0.00000000 1.0 S S10 1 0.83347009 0.16652991 0.37627380 1.0 S S11 1 0.83347009 0.66694017 0.37627380 1.0 S S12 1 0.33305983 0.16652991 0.37627380 1.0 S S13 1 0.66231980 0.83115990 0.87277387 1.0 S S14 1 0.16652991 0.33305983 0.62372620 1.0 S S15 1 0.16884010 0.83115990 0.87277387 1.0 S S16 1 0.16884010 0.33768020 0.87277387 1.0 S S17 1 0.83115990 0.16884010 0.12722613 1.0 S S18 1 0.33768020 0.16884010 0.12722613 1.0 S S19 1 0.66694017 0.83347009 0.62372620 1.0 S S20 1 0.33333300 0.66666700 0.12405626 1.0 S S21 1 0.66666700 0.33333300 0.62124348 1.0 S S22 1 0.66666700 0.33333300 0.87594374 1.0 S S23 1 0.33333300 0.66666700 0.37875652 1.0 S S24 1 0.83115990 0.66231980 0.12722613 1.0 S S25 1 0.16652991 0.83347009 0.62372620 1.0