# generated using pymatgen data_Fe8Cu3Te12(Cl5O16)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11730500 _cell_length_b 10.21551200 _cell_length_c 21.16645300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe8Cu3Te12(Cl5O16)2 _chemical_formula_sum 'Fe8 Cu3 Te12 Cl10 O32' _cell_volume 1106.49518216 _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 Fe Fe0 1 0.24762500 0.32887500 0.27150600 1.0 Fe Fe1 1 0.24762500 0.32887500 0.72849400 1.0 Fe Fe2 1 0.24762500 0.67112500 0.27150600 1.0 Fe Fe3 1 0.24762500 0.67112500 0.72849400 1.0 Fe Fe4 1 0.75717500 0.17528500 0.22780500 1.0 Fe Fe5 1 0.75717500 0.17528500 0.77219500 1.0 Fe Fe6 1 0.75717500 0.82471500 0.22780500 1.0 Fe Fe7 1 0.75717500 0.82471500 0.77219500 1.0 Cu Cu8 1 0.06903000 0.00000000 0.50000000 1.0 Cu Cu9 1 0.90785200 0.50000000 0.00000000 1.0 Cu Cu10 1 0.55583100 0.00000000 0.50000000 1.0 Te Te11 1 0.29625800 0.00000000 0.31152000 1.0 Te Te12 1 0.29625800 0.00000000 0.68848000 1.0 Te Te13 1 0.70255400 0.50000000 0.18498100 1.0 Te Te14 1 0.70255400 0.50000000 0.81501900 1.0 Te Te15 1 0.74795000 0.32640300 0.38719000 1.0 Te Te16 1 0.74795000 0.32640300 0.61281000 1.0 Te Te17 1 0.74795000 0.67359700 0.38719000 1.0 Te Te18 1 0.74795000 0.67359700 0.61281000 1.0 Te Te19 1 0.25047500 0.17419900 0.11091500 1.0 Te Te20 1 0.25047500 0.17419900 0.88908500 1.0 Te Te21 1 0.25047500 0.82580100 0.11091500 1.0 Te Te22 1 0.25047500 0.82580100 0.88908500 1.0 Cl Cl23 1 0.91605400 0.50000000 0.50000000 1.0 Cl Cl24 1 0.08512900 0.00000000 0.00000000 1.0 Cl Cl25 1 0.31641700 0.81006600 0.50000000 1.0 Cl Cl26 1 0.31641700 0.18993400 0.50000000 1.0 Cl Cl27 1 0.72351500 0.69827400 0.00000000 1.0 Cl Cl28 1 0.72351500 0.30172600 0.00000000 1.0 Cl Cl29 1 0.82523000 0.00000000 0.40716100 1.0 Cl Cl30 1 0.82523000 0.00000000 0.59283900 1.0 Cl Cl31 1 0.15199200 0.50000000 0.09416200 1.0 Cl Cl32 1 0.15199200 0.50000000 0.90583800 1.0 O O33 1 0.58018000 0.24373400 0.31353200 1.0 O O34 1 0.58018000 0.24373400 0.68646800 1.0 O O35 1 0.58018000 0.75626600 0.31353200 1.0 O O36 1 0.58018000 0.75626600 0.68646800 1.0 O O37 1 0.42847200 0.24858600 0.18505700 1.0 O O38 1 0.42847200 0.24858600 0.81494300 1.0 O O39 1 0.42847200 0.75141400 0.18505700 1.0 O O40 1 0.42847200 0.75141400 0.81494300 1.0 O O41 1 0.60491900 0.50000000 0.36661000 1.0 O O42 1 0.60491900 0.50000000 0.63339000 1.0 O O43 1 0.39253800 0.00000000 0.13036300 1.0 O O44 1 0.39253800 0.00000000 0.86963700 1.0 O O45 1 0.58911800 0.00000000 0.25139100 1.0 O O46 1 0.58911800 0.00000000 0.74860900 1.0 O O47 1 0.41099100 0.50000000 0.24610700 1.0 O O48 1 0.41099100 0.50000000 0.75389300 1.0 O O49 1 0.09521000 0.13512500 0.27313300 1.0 O O50 1 0.09521000 0.13512500 0.72686700 1.0 O O51 1 0.09521000 0.86487500 0.27313300 1.0 O O52 1 0.09521000 0.86487500 0.72686700 1.0 O O53 1 0.89432000 0.36394700 0.22598500 1.0 O O54 1 0.89432000 0.36394700 0.77401500 1.0 O O55 1 0.89432000 0.63605300 0.22598500 1.0 O O56 1 0.89432000 0.63605300 0.77401500 1.0 O O57 1 0.08406100 0.34916800 0.35621300 1.0 O O58 1 0.08406100 0.34916800 0.64378700 1.0 O O59 1 0.08406100 0.65083200 0.35621300 1.0 O O60 1 0.08406100 0.65083200 0.64378700 1.0 O O61 1 0.91879100 0.14770700 0.14563600 1.0 O O62 1 0.91879100 0.14770700 0.85436400 1.0 O O63 1 0.91879100 0.85229300 0.14563600 1.0 O O64 1 0.91879100 0.85229300 0.85436400 1.0