# generated using pymatgen data_TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.60348300 _cell_length_b 18.60348300 _cell_length_c 6.29021100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlTe _chemical_formula_sum 'Tl32 Te32' _cell_volume 2176.97648141 _cell_formula_units_Z 32 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 Tl Tl0 1 0.82415700 0.09649100 0.75279300 1.0 Tl Tl1 1 0.09615200 0.67552500 0.75378100 1.0 Tl Tl2 1 0.17552500 0.40384800 0.25378100 1.0 Tl Tl3 1 0.82447500 0.59615200 0.25378100 1.0 Tl Tl4 1 0.32447500 0.90384800 0.24621900 1.0 Tl Tl5 1 0.40384800 0.17552500 0.74621900 1.0 Tl Tl6 1 0.59615200 0.82447500 0.74621900 1.0 Tl Tl7 1 0.67552500 0.09615200 0.24621900 1.0 Tl Tl8 1 0.59615200 0.17552500 0.74621900 1.0 Tl Tl9 1 0.40384800 0.82447500 0.74621900 1.0 Tl Tl10 1 0.32447500 0.09615200 0.24621900 1.0 Tl Tl11 1 0.67552500 0.90384800 0.24621900 1.0 Tl Tl12 1 0.17552500 0.59615200 0.25378100 1.0 Tl Tl13 1 0.09615200 0.32447500 0.75378100 1.0 Tl Tl14 1 0.90384800 0.67552500 0.75378100 1.0 Tl Tl15 1 0.82447500 0.40384800 0.25378100 1.0 Tl Tl16 1 0.90384800 0.32447500 0.75378100 1.0 Tl Tl17 1 0.17584300 0.90350900 0.75279300 1.0 Tl Tl18 1 0.40350900 0.32415700 0.25279300 1.0 Tl Tl19 1 0.59649100 0.67584300 0.25279300 1.0 Tl Tl20 1 0.09649100 0.82415700 0.24720700 1.0 Tl Tl21 1 0.32415700 0.40350900 0.74720700 1.0 Tl Tl22 1 0.67584300 0.59649100 0.74720700 1.0 Tl Tl23 1 0.90350900 0.17584300 0.24720700 1.0 Tl Tl24 1 0.67584300 0.40350900 0.74720700 1.0 Tl Tl25 1 0.32415700 0.59649100 0.74720700 1.0 Tl Tl26 1 0.09649100 0.17584300 0.24720700 1.0 Tl Tl27 1 0.90350900 0.82415700 0.24720700 1.0 Tl Tl28 1 0.40350900 0.67584300 0.25279300 1.0 Tl Tl29 1 0.17584300 0.09649100 0.75279300 1.0 Tl Tl30 1 0.82415700 0.90350900 0.75279300 1.0 Tl Tl31 1 0.59649100 0.32415700 0.25279300 1.0 Te Te32 1 0.75125700 0.24874300 0.50000000 1.0 Te Te33 1 0.74874300 0.74874300 0.00000000 1.0 Te Te34 1 0.25125700 0.25125700 0.00000000 1.0 Te Te35 1 0.24874300 0.75125700 0.50000000 1.0 Te Te36 1 0.74874300 0.25125700 0.00000000 1.0 Te Te37 1 0.75125700 0.75125700 0.50000000 1.0 Te Te38 1 0.24874300 0.24874300 0.50000000 1.0 Te Te39 1 0.25125700 0.74874300 0.00000000 1.0 Te Te40 1 0.00000000 0.00000000 0.23901300 1.0 Te Te41 1 0.50000000 0.50000000 0.73901300 1.0 Te Te42 1 0.50000000 0.50000000 0.26098700 1.0 Te Te43 1 0.00000000 0.00000000 0.76098700 1.0 Te Te44 1 0.50000000 0.00000000 0.24839100 1.0 Te Te45 1 0.50000000 0.00000000 0.74839100 1.0 Te Te46 1 0.00000000 0.50000000 0.25160900 1.0 Te Te47 1 0.16337300 0.50000000 0.75234600 1.0 Te Te48 1 0.50000000 0.33680300 0.76504900 1.0 Te Te49 1 0.50000000 0.66319700 0.76504900 1.0 Te Te50 1 0.16319700 0.00000000 0.26504900 1.0 Te Te51 1 0.83680300 0.00000000 0.26504900 1.0 Te Te52 1 0.33680300 0.50000000 0.23495100 1.0 Te Te53 1 0.00000000 0.16319700 0.73495100 1.0 Te Te54 1 0.00000000 0.83680300 0.73495100 1.0 Te Te55 1 0.66319700 0.50000000 0.23495100 1.0 Te Te56 1 0.50000000 0.83662700 0.24765400 1.0 Te Te57 1 0.50000000 0.16337300 0.24765400 1.0 Te Te58 1 0.66337300 0.00000000 0.74765400 1.0 Te Te59 1 0.33662700 0.00000000 0.74765400 1.0 Te Te60 1 0.83662700 0.50000000 0.75234600 1.0 Te Te61 1 0.00000000 0.66337300 0.25234600 1.0 Te Te62 1 0.00000000 0.33662700 0.25234600 1.0 Te Te63 1 0.00000000 0.50000000 0.75160900 1.0