# generated using pymatgen data_Cr4In2(CuSe4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51337821 _cell_length_b 7.51337821 _cell_length_c 18.84870507 _cell_angle_alpha 89.99569125 _cell_angle_beta 89.99569125 _cell_angle_gamma 59.54372439 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr4In2(CuSe4)3 _chemical_formula_sum 'Cr8 In4 Cu6 Se24' _cell_volume 917.20721489 _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 Cr Cr0 1 0.16682800 0.16682800 0.66592000 1.0 Cr Cr1 1 0.83317200 0.83317200 0.33408000 1.0 Cr Cr2 1 0.50000000 0.00000000 0.00000000 1.0 Cr Cr3 1 0.16708400 0.66657600 0.66629000 1.0 Cr Cr4 1 0.83291600 0.33342400 0.33371000 1.0 Cr Cr5 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr6 1 0.66657600 0.16708400 0.66629000 1.0 Cr Cr7 1 0.33342400 0.83291600 0.33371000 1.0 In In8 1 0.33202700 0.33202700 0.83275000 1.0 In In9 1 0.00000000 0.00000000 0.50000000 1.0 In In10 1 0.66797300 0.66797300 0.16725000 1.0 In In11 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu12 1 0.33308100 0.33308100 0.45911700 1.0 Cu Cu13 1 0.99773500 0.99773500 0.12774200 1.0 Cu Cu14 1 0.66682000 0.66682000 0.79096400 1.0 Cu Cu15 1 0.33318000 0.33318000 0.20903600 1.0 Cu Cu16 1 0.00226500 0.00226500 0.87225800 1.0 Cu Cu17 1 0.66691900 0.66691900 0.54088300 1.0 Se Se18 1 0.99892300 0.99892300 0.25959100 1.0 Se Se19 1 0.67784400 0.67784400 0.92138300 1.0 Se Se20 1 0.33337300 0.33337300 0.59190800 1.0 Se Se21 1 0.16256800 0.16256800 0.40696900 1.0 Se Se22 1 0.82913600 0.82913600 0.07398700 1.0 Se Se23 1 0.49534000 0.49534000 0.74008500 1.0 Se Se24 1 0.16276300 0.67550900 0.40702800 1.0 Se Se25 1 0.85028200 0.33851000 0.07900200 1.0 Se Se26 1 0.49485700 0.00973400 0.73888800 1.0 Se Se27 1 0.67550900 0.16276300 0.40702800 1.0 Se Se28 1 0.33851000 0.85028200 0.07900200 1.0 Se Se29 1 0.00973400 0.49485700 0.73888800 1.0 Se Se30 1 0.66662700 0.66662700 0.40809200 1.0 Se Se31 1 0.32215600 0.32215600 0.07861700 1.0 Se Se32 1 0.00107700 0.00107700 0.74040900 1.0 Se Se33 1 0.50466000 0.50466000 0.25991500 1.0 Se Se34 1 0.17086400 0.17086400 0.92601300 1.0 Se Se35 1 0.83743200 0.83743200 0.59303100 1.0 Se Se36 1 0.50514300 0.99026600 0.26111200 1.0 Se Se37 1 0.14971800 0.66149000 0.92099800 1.0 Se Se38 1 0.83723700 0.32449100 0.59297200 1.0 Se Se39 1 0.99026600 0.50514300 0.26111200 1.0 Se Se40 1 0.66149000 0.14971800 0.92099800 1.0 Se Se41 1 0.32449100 0.83723700 0.59297200 1.0