# generated using pymatgen data_Li(TaRe6)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34562724 _cell_length_b 8.34562824 _cell_length_c 8.34562653 _cell_angle_alpha 109.44153990 _cell_angle_beta 109.44154214 _cell_angle_gamma 109.44154292 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li(TaRe6)4 _chemical_formula_sum 'Li1 Ta4 Re24' _cell_volume 447.95189205 _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 Li Li0 1 0.36691344 0.36691344 0.36691344 1.0 Ta Ta1 1 0.01016096 0.01016096 0.01016096 1.0 Ta Ta2 1 0.63287034 0.99897780 0.99897780 1.0 Ta Ta3 1 0.99897780 0.63287034 0.99897780 1.0 Ta Ta4 1 0.99897780 0.99897780 0.63287034 1.0 Re Re5 1 0.40053065 0.68399564 0.00278464 1.0 Re Re6 1 0.71596799 0.31848228 0.31848228 1.0 Re Re7 1 0.40053065 0.00278464 0.68399564 1.0 Re Re8 1 0.68399564 0.40053065 0.00278464 1.0 Re Re9 1 0.00278464 0.40053065 0.68399564 1.0 Re Re10 1 0.31848228 0.71596799 0.31848228 1.0 Re Re11 1 0.31848228 0.31848228 0.71596799 1.0 Re Re12 1 0.00278464 0.68399564 0.40053065 1.0 Re Re13 1 0.68399564 0.00278464 0.40053065 1.0 Re Re14 1 0.60006765 0.60006765 0.28037297 1.0 Re Re15 1 0.28037297 0.60006765 0.60006765 1.0 Re Re16 1 0.60006765 0.28037297 0.60006765 1.0 Re Re17 1 0.37550345 0.19212415 0.00321672 1.0 Re Re18 1 0.17959884 0.80099215 0.80099215 1.0 Re Re19 1 0.37550345 0.00321672 0.19212415 1.0 Re Re20 1 0.19212415 0.37550345 0.00321672 1.0 Re Re21 1 0.00321672 0.37550345 0.19212415 1.0 Re Re22 1 0.80099215 0.17959884 0.80099215 1.0 Re Re23 1 0.80099215 0.80099215 0.17959884 1.0 Re Re24 1 0.00321672 0.19212415 0.37550345 1.0 Re Re25 1 0.19212415 0.00321672 0.37550345 1.0 Re Re26 1 0.62271795 0.62271795 0.81532630 1.0 Re Re27 1 0.81532630 0.62271795 0.62271795 1.0 Re Re28 1 0.62271795 0.81532630 0.62271795 1.0