# generated using pymatgen data_Ta4MnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68174605 _cell_length_b 6.68174656 _cell_length_c 12.55823803 _cell_angle_alpha 89.99997345 _cell_angle_beta 90.00005678 _cell_angle_gamma 119.99982392 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4MnS8 _chemical_formula_sum 'Ta8 Mn2 S16' _cell_volume 485.55684104 _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 Ta Ta0 1 0.50665272 0.49334754 0.75006238 1.0 Ta Ta1 1 0.01331404 0.50665652 0.24993940 1.0 Ta Ta2 1 0.49334292 0.98668528 0.24993960 1.0 Ta Ta3 1 0.50665210 0.01330537 0.75006244 1.0 Ta Ta4 1 0.98669510 0.49334799 0.75006246 1.0 Ta Ta5 1 0.49334256 0.50665692 0.24993971 1.0 Ta Ta6 1 0.00000017 0.00000018 0.75008174 1.0 Ta Ta7 1 -0.00000064 -0.00000032 0.24991734 1.0 Mn Mn8 1 0.00000003 0.00000020 0.49999716 1.0 Mn Mn9 1 -0.00000044 0.00000007 0.00000206 1.0 S S10 1 0.83148615 0.16851385 0.37282176 1.0 S S11 1 0.83148601 0.66297219 0.37282161 1.0 S S12 1 0.33702733 0.16851317 0.37282161 1.0 S S13 1 0.66293180 0.83146589 0.87299486 1.0 S S14 1 0.16850642 0.33701345 0.62714604 1.0 S S15 1 0.16853446 0.83146607 0.87299526 1.0 S S16 1 0.16853430 0.33706853 0.87299494 1.0 S S17 1 0.83146485 0.16853477 0.12703624 1.0 S S18 1 0.33706915 0.16853429 0.12703658 1.0 S S19 1 0.66298679 0.83149360 0.62714606 1.0 S S20 1 0.33333291 0.66666653 0.12264075 1.0 S S21 1 0.66666687 0.33333331 0.62278587 1.0 S S22 1 0.66666702 0.33333334 0.87737658 1.0 S S23 1 0.33333300 0.66666656 0.37719619 1.0 S S24 1 0.83146467 0.66293017 0.12703652 1.0 S S25 1 0.16850669 0.83149352 0.62714584 1.0