# generated using pymatgen data_Nd(ThTe2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.58693782 _cell_length_b 12.63311288 _cell_length_c 4.36517414 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.81032200 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(ThTe2)6 _chemical_formula_sum 'Nd1 Th6 Te12' _cell_volume 602.26770508 _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 Nd Nd0 1 0.72382329 0.15850989 0.00000000 1.0 Th Th1 1 0.84441859 0.56633958 0.00000000 1.0 Th Th2 1 0.43318920 0.27495632 0.00000000 1.0 Th Th3 1 0.54998131 0.71175686 0.50000000 1.0 Th Th4 1 0.29014452 0.84025995 0.50000000 1.0 Th Th5 1 0.16093190 0.44992580 0.50000000 1.0 Th Th6 1 0.99546407 0.00024048 0.00000000 1.0 Te Te7 1 0.74409520 0.74977576 0.00000000 1.0 Te Te8 1 0.24482140 0.99197720 0.00000000 1.0 Te Te9 1 0.00799318 0.25657192 0.00000000 1.0 Te Te10 1 0.49222624 0.86611861 0.00000000 1.0 Te Te11 1 0.13545020 0.62703889 0.00000000 1.0 Te Te12 1 0.37484305 0.50811177 0.00000000 1.0 Te Te13 1 0.86421590 0.38837848 0.50000000 1.0 Te Te14 1 0.21581417 0.21307125 0.50000000 1.0 Te Te15 1 0.99697940 0.78404464 0.50000000 1.0 Te Te16 1 0.79017959 0.00021885 0.50000000 1.0 Te Te17 1 0.52130501 0.13665939 0.50000000 1.0 Te Te18 1 0.61412577 0.47604034 0.50000000 1.0