# generated using pymatgen data_Tm(TaS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68058533 _cell_length_b 6.68058455 _cell_length_c 13.50275447 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000882 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm(TaS2)4 _chemical_formula_sum 'Tm2 Ta8 S16' _cell_volume 521.89356795 _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 Tm Tm0 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm1 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta2 1 0.50548509 0.49451491 0.75000000 1.0 Ta Ta3 1 0.01096918 0.50548509 0.25000000 1.0 Ta Ta4 1 0.49451491 0.98903082 0.25000000 1.0 Ta Ta5 1 0.50548509 0.01096918 0.75000000 1.0 Ta Ta6 1 0.98903082 0.49451491 0.75000000 1.0 Ta Ta7 1 0.49451491 0.50548509 0.25000000 1.0 Ta Ta8 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta9 1 0.00000000 0.00000000 0.25000000 1.0 S S10 1 0.83144568 0.16855432 0.36508892 1.0 S S11 1 0.83144568 0.66289137 0.36508892 1.0 S S12 1 0.33710863 0.16855432 0.36508892 1.0 S S13 1 0.66289137 0.83144568 0.86508892 1.0 S S14 1 0.16855432 0.33710863 0.63491108 1.0 S S15 1 0.16855432 0.83144568 0.86508892 1.0 S S16 1 0.16855432 0.33710863 0.86508892 1.0 S S17 1 0.83144568 0.16855432 0.13491108 1.0 S S18 1 0.33710863 0.16855432 0.13491108 1.0 S S19 1 0.66289137 0.83144568 0.63491108 1.0 S S20 1 0.33333300 0.66666700 0.13231189 1.0 S S21 1 0.66666700 0.33333300 0.63231189 1.0 S S22 1 0.66666700 0.33333300 0.86768811 1.0 S S23 1 0.33333300 0.66666700 0.36768811 1.0 S S24 1 0.83144568 0.66289137 0.13491108 1.0 S S25 1 0.16855432 0.83144568 0.63491108 1.0