# generated using pymatgen data_Ta7MnS12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76597351 _cell_length_b 5.76597445 _cell_length_c 12.65565665 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000029 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta7MnS12 _chemical_formula_sum 'Ta7 Mn1 S12' _cell_volume 364.38515113 _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 0.00000000 0.00000000 0.50237675 1.0 Ta Ta1 1 0.00000000 0.00000000 0.99762325 1.0 Ta Ta2 1 0.33333300 0.66666700 0.99676709 1.0 Ta Ta3 1 0.66666700 0.33333300 0.99987124 1.0 Ta Ta4 1 0.66666700 0.33333300 0.50012876 1.0 Ta Ta5 1 0.33333300 0.66666700 0.50323291 1.0 Ta Ta6 1 0.66666700 0.33333300 0.75000000 1.0 Mn Mn7 1 0.33333300 0.66666700 0.25000000 1.0 S S8 1 0.33157059 0.33002464 0.37787473 1.0 S S9 1 0.66997536 0.00154595 0.37787473 1.0 S S10 1 0.99845405 0.66842941 0.37787473 1.0 S S11 1 0.33314123 0.33308060 0.62671711 1.0 S S12 1 0.99993836 0.66685877 0.62671711 1.0 S S13 1 0.66691940 0.00006164 0.62671711 1.0 S S14 1 0.66691940 0.66685877 0.87328289 1.0 S S15 1 0.33314123 0.00006164 0.87328289 1.0 S S16 1 0.99993836 0.33308060 0.87328289 1.0 S S17 1 0.66997536 0.66842941 0.12212527 1.0 S S18 1 0.99845405 0.33002464 0.12212527 1.0 S S19 1 0.33157059 0.00154595 0.12212527 1.0