# generated using pymatgen data_Cr8InCu3S16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.18299411 _cell_length_b 12.18299412 _cell_length_c 12.18299427 _cell_angle_alpha 33.66295680 _cell_angle_beta 33.66295732 _cell_angle_gamma 33.66295717 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr8InCu3S16 _chemical_formula_sum 'Cr8 In1 Cu3 S16' _cell_volume 494.97178499 _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 Cr Cr0 1 0.25266725 0.25266725 0.25266725 1.0 Cr Cr1 1 0.74856173 0.74856173 0.74856173 1.0 Cr Cr2 1 0.99404020 0.50355824 0.99404020 1.0 Cr Cr3 1 0.49899804 0.00868538 0.49899804 1.0 Cr Cr4 1 0.49899804 0.49899804 0.00868538 1.0 Cr Cr5 1 0.99404020 0.99404020 0.50355824 1.0 Cr Cr6 1 0.50355824 0.99404020 0.99404020 1.0 Cr Cr7 1 0.00868538 0.49899804 0.49899804 1.0 In In8 1 0.56314452 0.56314452 0.56314452 1.0 Cu Cu9 1 0.06232274 0.06232274 0.06232274 1.0 Cu Cu10 1 0.93767006 0.93767006 0.93767006 1.0 Cu Cu11 1 0.43822531 0.43822531 0.43822531 1.0 S S12 1 0.63372975 0.63372975 0.63372975 1.0 S S13 1 0.12790916 0.12790916 0.12790916 1.0 S S14 1 0.35254395 0.91093929 0.35254395 1.0 S S15 1 0.86503303 0.39185408 0.86503303 1.0 S S16 1 0.35254395 0.35254395 0.91093929 1.0 S S17 1 0.86503303 0.86503303 0.39185408 1.0 S S18 1 0.91093929 0.35254395 0.35254395 1.0 S S19 1 0.39185408 0.86503303 0.86503303 1.0 S S20 1 0.86999405 0.86999405 0.86999405 1.0 S S21 1 0.37254839 0.37254839 0.37254839 1.0 S S22 1 0.13783615 0.60595244 0.13783615 1.0 S S23 1 0.63563754 0.10405978 0.63563754 1.0 S S24 1 0.13783615 0.13783615 0.60595244 1.0 S S25 1 0.63563754 0.63563754 0.10405978 1.0 S S26 1 0.60595244 0.13783615 0.13783615 1.0 S S27 1 0.10405978 0.63563754 0.63563754 1.0