# generated using pymatgen data_TeI7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.02909035 _cell_length_b 12.02899501 _cell_length_c 6.19654616 _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 896.62701705 _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 0.74099147 1.0 Te Te1 1 0.00000000 0.50000000 0.25925919 1.0 I I2 1 0.50000000 0.24366141 0.71224161 1.0 I I3 1 0.50000000 0.75633859 0.71224161 1.0 I I4 1 0.74303765 0.00000000 0.78085779 1.0 I I5 1 0.25696235 0.00000000 0.78085779 1.0 I I6 1 0.00000000 0.25689553 0.21908306 1.0 I I7 1 0.00000000 0.74310447 0.21908306 1.0 I I8 1 0.75615374 0.50000000 0.28821849 1.0 I I9 1 0.24384626 0.50000000 0.28821849 1.0 I I10 1 0.50000000 0.00000000 0.24145826 1.0 I I11 1 0.00000000 0.50000000 0.75872352 1.0 I I12 1 0.00000000 0.00000000 0.74870190 1.0 I I13 1 0.50000000 0.50000000 0.75066587 1.0 I I14 1 0.50000000 0.50000000 0.24862610 1.0 I I15 1 0.00000000 0.00000000 0.25077280 1.0