# generated using pymatgen data_Er(TaS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68262601 _cell_length_b 6.68262578 _cell_length_c 13.58184923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000610 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er(TaS2)4 _chemical_formula_sum 'Er2 Ta8 S16' _cell_volume 525.27146451 _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 Er Er0 1 0.00000000 0.00000000 0.50000000 1.0 Er Er1 1 0.00000000 0.00000000 0.00000000 1.0 Ta Ta2 1 0.50558103 0.49441897 0.75000000 1.0 Ta Ta3 1 0.01116105 0.50558103 0.25000000 1.0 Ta Ta4 1 0.49441897 0.98883895 0.25000000 1.0 Ta Ta5 1 0.50558103 0.01116105 0.75000000 1.0 Ta Ta6 1 0.98883895 0.49441897 0.75000000 1.0 Ta Ta7 1 0.49441897 0.50558103 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 0.83140259 0.16859741 0.36441751 1.0 S S11 1 0.83140259 0.66280418 0.36441751 1.0 S S12 1 0.33719582 0.16859741 0.36441751 1.0 S S13 1 0.66280418 0.83140259 0.86441751 1.0 S S14 1 0.16859741 0.33719582 0.63558249 1.0 S S15 1 0.16859741 0.83140259 0.86441751 1.0 S S16 1 0.16859741 0.33719582 0.86441751 1.0 S S17 1 0.83140259 0.16859741 0.13558249 1.0 S S18 1 0.33719582 0.16859741 0.13558249 1.0 S S19 1 0.66280418 0.83140259 0.63558249 1.0 S S20 1 0.33333300 0.66666700 0.13291866 1.0 S S21 1 0.66666700 0.33333300 0.63291866 1.0 S S22 1 0.66666700 0.33333300 0.86708134 1.0 S S23 1 0.33333300 0.66666700 0.36708134 1.0 S S24 1 0.83140259 0.66280418 0.13558249 1.0 S S25 1 0.16859741 0.83140259 0.63558249 1.0