# generated using pymatgen data_Tb3CrSe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93849841 _cell_length_b 13.95269839 _cell_length_c 16.78435688 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3CrSe6 _chemical_formula_sum 'Tb12 Cr4 Se24' _cell_volume 922.34539975 _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 Tb Tb0 1 -0.00000000 0.31956501 0.14811551 1.0 Tb Tb1 1 0.00000000 0.68043499 0.85188449 1.0 Tb Tb2 1 0.50000000 0.81956501 0.35188449 1.0 Tb Tb3 1 0.50000000 0.18043499 0.64811551 1.0 Tb Tb4 1 -0.00000000 0.55116945 0.27783771 1.0 Tb Tb5 1 0.00000000 0.44883055 0.72216229 1.0 Tb Tb6 1 0.50000000 0.05116945 0.22216229 1.0 Tb Tb7 1 0.50000000 0.94883055 0.77783771 1.0 Tb Tb8 1 0.00000000 0.75715042 0.09683013 1.0 Tb Tb9 1 -0.00000000 0.24284958 0.90316987 1.0 Tb Tb10 1 0.50000000 0.25715042 0.40316987 1.0 Tb Tb11 1 0.50000000 0.74284958 0.59683013 1.0 Cr Cr12 1 -0.00000000 0.00000000 0.50000000 1.0 Cr Cr13 1 0.50000000 0.50000000 0.00000000 1.0 Cr Cr14 1 -0.00000000 0.00000000 0.00000000 1.0 Cr Cr15 1 0.50000000 0.50000000 0.50000000 1.0 Se Se16 1 -0.00000000 0.10284204 0.75426909 1.0 Se Se17 1 -0.00000000 0.89715796 0.24573091 1.0 Se Se18 1 0.50000000 0.60284204 0.74573091 1.0 Se Se19 1 0.50000000 0.39715796 0.25426909 1.0 Se Se20 1 -0.00000000 0.12069909 0.10905567 1.0 Se Se21 1 0.00000000 0.87930091 0.89094433 1.0 Se Se22 1 0.50000000 0.62069909 0.39094433 1.0 Se Se23 1 0.50000000 0.37930091 0.60905567 1.0 Se Se24 1 -0.00000000 0.19035632 0.29020771 1.0 Se Se25 1 0.00000000 0.80964368 0.70979229 1.0 Se Se26 1 0.50000000 0.69035632 0.20979229 1.0 Se Se27 1 0.50000000 0.30964368 0.79020771 1.0 Se Se28 1 -0.00000000 0.18073128 0.52061873 1.0 Se Se29 1 0.00000000 0.81926872 0.47938127 1.0 Se Se30 1 0.50000000 0.68073128 0.97938127 1.0 Se Se31 1 0.50000000 0.31926872 0.02061873 1.0 Se Se32 1 -0.00000000 0.41803518 0.42354292 1.0 Se Se33 1 -0.00000000 0.58196482 0.57645708 1.0 Se Se34 1 0.50000000 0.91803518 0.07645708 1.0 Se Se35 1 0.50000000 0.08196482 0.92354292 1.0 Se Se36 1 -0.00000000 0.52278978 0.09792176 1.0 Se Se37 1 -0.00000000 0.47721022 0.90207824 1.0 Se Se38 1 0.50000000 0.02278978 0.40207824 1.0 Se Se39 1 0.50000000 0.97721022 0.59792176 1.0