# generated using pymatgen data_Te4WCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.34443759 _cell_length_b 12.34443759 _cell_length_c 12.26834809 _cell_angle_alpha 76.76059076 _cell_angle_beta 76.76059076 _cell_angle_gamma 120.58918056 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te4WCl6 _chemical_formula_sum 'Te16 W4 Cl24' _cell_volume 1427.16271470 _cell_formula_units_Z 4 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 Te Te0 1 0.55079300 0.37988000 0.64310900 1.0 Te Te1 1 0.64194200 0.22598000 0.92271300 1.0 Te Te2 1 0.06174000 0.36097600 0.50212800 1.0 Te Te3 1 0.77402000 0.35805800 0.57728700 1.0 Te Te4 1 0.66436100 0.89492900 0.22515700 1.0 Te Te5 1 0.44920700 0.62012000 0.35689100 1.0 Te Te6 1 0.37988000 0.55079300 0.14310900 1.0 Te Te7 1 0.36097600 0.06174000 0.00212800 1.0 Te Te8 1 0.62012000 0.44920700 0.85689100 1.0 Te Te9 1 0.33563900 0.10507100 0.77484300 1.0 Te Te10 1 0.35805800 0.77402000 0.07728700 1.0 Te Te11 1 0.89492900 0.66436100 0.72515700 1.0 Te Te12 1 0.22598000 0.64194200 0.42271300 1.0 Te Te13 1 0.10507100 0.33563900 0.27484300 1.0 Te Te14 1 0.93826000 0.63902400 0.49787200 1.0 Te Te15 1 0.63902400 0.93826000 0.99787200 1.0 W W16 1 0.33494300 0.10391100 0.39029000 1.0 W W17 1 0.66505700 0.89608900 0.60971000 1.0 W W18 1 0.10391100 0.33494300 0.89029000 1.0 W W19 1 0.89608900 0.66505700 0.10971000 1.0 Cl Cl20 1 0.21732100 0.28593200 0.00003200 1.0 Cl Cl21 1 0.56192700 0.70590800 0.79467400 1.0 Cl Cl22 1 0.77702400 0.09213700 0.42232600 1.0 Cl Cl23 1 0.18870800 0.54022100 0.91078200 1.0 Cl Cl24 1 0.22297600 0.90786300 0.57767400 1.0 Cl Cl25 1 0.70590800 0.56192700 0.29467400 1.0 Cl Cl26 1 0.78267900 0.71406800 0.99996800 1.0 Cl Cl27 1 0.38777400 0.98956900 0.28025600 1.0 Cl Cl28 1 0.99424300 0.87463100 0.12813700 1.0 Cl Cl29 1 0.87463100 0.99424300 0.62813700 1.0 Cl Cl30 1 0.98956900 0.38777400 0.78025600 1.0 Cl Cl31 1 0.01043100 0.61222600 0.21974400 1.0 Cl Cl32 1 0.45977900 0.81129200 0.58921800 1.0 Cl Cl33 1 0.54022100 0.18870800 0.41078200 1.0 Cl Cl34 1 0.90786300 0.22297600 0.07767400 1.0 Cl Cl35 1 0.00575700 0.12536900 0.87186300 1.0 Cl Cl36 1 0.12536900 0.00575700 0.37186300 1.0 Cl Cl37 1 0.71406800 0.78267900 0.49996800 1.0 Cl Cl38 1 0.09213700 0.77702400 0.92232600 1.0 Cl Cl39 1 0.81129200 0.45977900 0.08921800 1.0 Cl Cl40 1 0.29409200 0.43807300 0.70532600 1.0 Cl Cl41 1 0.28593200 0.21732100 0.50003200 1.0 Cl Cl42 1 0.61222600 0.01043100 0.71974400 1.0 Cl Cl43 1 0.43807300 0.29409200 0.20532600 1.0