# generated using pymatgen data_Li(TaSe2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95733335 _cell_length_b 6.95733393 _cell_length_c 13.60340496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999255 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(TaSe2)4 _chemical_formula_sum 'Li2 Ta8 Se16' _cell_volume 570.24823778 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Li Li1 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.00000000 0.00000000 0.25000000 1.0 Ta Ta3 1 0.00000000 0.00000000 0.75000000 1.0 Ta Ta4 1 0.51054886 0.02109871 0.25000000 1.0 Ta Ta5 1 0.48945114 0.97890129 0.75000000 1.0 Ta Ta6 1 0.97890129 0.48945114 0.25000000 1.0 Ta Ta7 1 0.02109871 0.51054886 0.75000000 1.0 Ta Ta8 1 0.51054886 0.48945114 0.25000000 1.0 Ta Ta9 1 0.48945114 0.51054886 0.75000000 1.0 Se Se10 1 0.33333300 0.66666700 0.62148371 1.0 Se Se11 1 0.66666700 0.33333300 0.37851629 1.0 Se Se12 1 0.66666700 0.33333300 0.12148371 1.0 Se Se13 1 0.33333300 0.66666700 0.87851629 1.0 Se Se14 1 0.16880411 0.33760822 0.13059316 1.0 Se Se15 1 0.83119589 0.66239178 0.86940684 1.0 Se Se16 1 0.66239178 0.83119589 0.13059316 1.0 Se Se17 1 0.83119589 0.66239178 0.63059316 1.0 Se Se18 1 0.33760822 0.16880411 0.86940684 1.0 Se Se19 1 0.16880411 0.33760822 0.36940684 1.0 Se Se20 1 0.16880411 0.83119589 0.13059316 1.0 Se Se21 1 0.33760822 0.16880411 0.63059316 1.0 Se Se22 1 0.83119589 0.16880411 0.86940684 1.0 Se Se23 1 0.66239178 0.83119589 0.36940684 1.0 Se Se24 1 0.83119589 0.16880411 0.63059316 1.0 Se Se25 1 0.16880411 0.83119589 0.36940684 1.0