# generated using pymatgen data_Sc5(NiTe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96223600 _cell_length_b 10.65544811 _cell_length_c 17.93948041 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc5(NiTe)2 _chemical_formula_sum 'Sc20 Ni8 Te8' _cell_volume 757.39410097 _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 Sc Sc0 1 0.25000000 0.17681019 0.48061316 1.0 Sc Sc1 1 0.75000000 0.82318981 0.51938684 1.0 Sc Sc2 1 0.75000000 0.67681019 0.01938684 1.0 Sc Sc3 1 0.25000000 0.32318981 0.98061316 1.0 Sc Sc4 1 0.25000000 0.05799129 0.07164805 1.0 Sc Sc5 1 0.75000000 0.94200871 0.92835195 1.0 Sc Sc6 1 0.75000000 0.55799129 0.42835195 1.0 Sc Sc7 1 0.25000000 0.44200871 0.57164805 1.0 Sc Sc8 1 0.25000000 0.80320948 0.36681370 1.0 Sc Sc9 1 0.75000000 0.19679052 0.63318630 1.0 Sc Sc10 1 0.75000000 0.30320948 0.13318630 1.0 Sc Sc11 1 0.25000000 0.69679052 0.86681370 1.0 Sc Sc12 1 0.25000000 0.02087823 0.77348907 1.0 Sc Sc13 1 0.75000000 0.97912177 0.22651093 1.0 Sc Sc14 1 0.75000000 0.52087823 0.72651093 1.0 Sc Sc15 1 0.25000000 0.47912177 0.27348907 1.0 Sc Sc16 1 0.25000000 0.78433613 0.15147020 1.0 Sc Sc17 1 0.75000000 0.21566387 0.84852980 1.0 Sc Sc18 1 0.75000000 0.28433613 0.34852980 1.0 Sc Sc19 1 0.25000000 0.71566387 0.65147020 1.0 Ni Ni20 1 0.25000000 0.67485482 0.49365536 1.0 Ni Ni21 1 0.75000000 0.32514518 0.50634464 1.0 Ni Ni22 1 0.75000000 0.17485482 0.00634464 1.0 Ni Ni23 1 0.25000000 0.82514518 0.99365536 1.0 Ni Ni24 1 0.25000000 0.39682269 0.41508529 1.0 Ni Ni25 1 0.75000000 0.60317731 0.58491471 1.0 Ni Ni26 1 0.75000000 0.89682269 0.08491471 1.0 Ni Ni27 1 0.25000000 0.10317731 0.91508529 1.0 Te Te28 1 0.25000000 0.19107652 0.23216364 1.0 Te Te29 1 0.75000000 0.80892348 0.76783636 1.0 Te Te30 1 0.75000000 0.69107652 0.26783636 1.0 Te Te31 1 0.25000000 0.30892348 0.73216364 1.0 Te Te32 1 0.25000000 0.99044745 0.60707247 1.0 Te Te33 1 0.75000000 0.00955255 0.39292753 1.0 Te Te34 1 0.75000000 0.49044745 0.89292753 1.0 Te Te35 1 0.25000000 0.50955255 0.10707247 1.0