# generated using pymatgen data_TeI7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.73804500 _cell_length_b 12.73804500 _cell_length_c 5.94727800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TeI7 _chemical_formula_sum 'Te2 I14' _cell_volume 964.99218731 _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 Te Te0 1 0.50000000 0.00000000 0.91161300 1.0 Te Te1 1 0.00000000 0.50000000 0.08838700 1.0 I I2 1 0.50000000 0.23389700 0.90394500 1.0 I I3 1 0.50000000 0.76610300 0.90394500 1.0 I I4 1 0.73389700 0.00000000 0.90394500 1.0 I I5 1 0.26610300 0.00000000 0.90394500 1.0 I I6 1 0.00000000 0.26610300 0.09605500 1.0 I I7 1 0.00000000 0.73389700 0.09605500 1.0 I I8 1 0.76610300 0.50000000 0.09605500 1.0 I I9 1 0.23389700 0.50000000 0.09605500 1.0 I I10 1 0.50000000 0.00000000 0.40792000 1.0 I I11 1 0.00000000 0.50000000 0.59208000 1.0 I I12 1 0.00000000 0.00000000 0.75460300 1.0 I I13 1 0.50000000 0.50000000 0.75460300 1.0 I I14 1 0.50000000 0.50000000 0.24539700 1.0 I I15 1 0.00000000 0.00000000 0.24539700 1.0