# generated using pymatgen data_Ta4CrSe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93808168 _cell_length_b 6.93807969 _cell_length_c 12.86582347 _cell_angle_alpha 89.99995900 _cell_angle_beta 90.00004786 _cell_angle_gamma 119.99995644 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta4CrSe8 _chemical_formula_sum 'Ta8 Cr2 Se16' _cell_volume 536.34853940 _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 0.00000043 -0.00000059 0.25001963 1.0 Ta Ta1 1 -0.00000087 0.00000062 0.74998425 1.0 Ta Ta2 1 0.50962100 0.01923985 0.25003644 1.0 Ta Ta3 1 0.49037185 0.98074545 0.74997639 1.0 Ta Ta4 1 0.98075998 0.49037933 0.25003657 1.0 Ta Ta5 1 0.01925461 0.50962804 0.74997633 1.0 Ta Ta6 1 0.50962190 0.49037841 0.25003613 1.0 Ta Ta7 1 0.49037103 0.50962947 0.74997653 1.0 Cr Cr8 1 -0.00000022 0.00000026 0.00002993 1.0 Cr Cr9 1 0.00000042 -0.00000055 0.49998263 1.0 Se Se10 1 0.33333163 0.66666850 0.61506491 1.0 Se Se11 1 0.66666820 0.33333169 0.38491715 1.0 Se Se12 1 0.66666816 0.33333199 0.11508380 1.0 Se Se13 1 0.33333175 0.66666818 0.88497812 1.0 Se Se14 1 0.16817157 0.33634105 0.12235042 1.0 Se Se15 1 0.83182753 0.66365786 0.87764030 1.0 Se Se16 1 0.66365948 0.83182866 0.12235001 1.0 Se Se17 1 0.83183331 0.66367017 0.62233296 1.0 Se Se18 1 0.33634228 0.16817288 0.87764022 1.0 Se Se19 1 0.16815825 0.33631193 0.37764270 1.0 Se Se20 1 0.16817054 0.83182931 0.12235001 1.0 Se Se21 1 0.33632927 0.16816668 0.62233303 1.0 Se Se22 1 0.83182780 0.16817231 0.87764054 1.0 Se Se23 1 0.66368782 0.83184136 0.37764267 1.0 Se Se24 1 0.83183441 0.16816480 0.62233201 1.0 Se Se25 1 0.16815687 0.83184332 0.37764331 1.0