# generated using pymatgen data_Cs3CrSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.13720352 _cell_length_b 10.08817539 _cell_length_c 11.92235542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3CrSe4 _chemical_formula_sum 'Cs12 Cr4 Se16' _cell_volume 1219.25025356 _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 Cs Cs0 1 0.54327314 0.20617493 0.04008236 1.0 Cs Cs1 1 0.04327314 0.29382507 0.45991764 1.0 Cs Cs2 1 0.45672686 0.79382507 0.54008236 1.0 Cs Cs3 1 0.95672686 0.70617493 0.95991764 1.0 Cs Cs4 1 0.45672686 0.79382507 0.95991764 1.0 Cs Cs5 1 0.95672686 0.70617493 0.54008236 1.0 Cs Cs6 1 0.54327314 0.20617493 0.45991764 1.0 Cs Cs7 1 0.04327314 0.29382507 0.04008236 1.0 Cs Cs8 1 0.64980794 0.40920731 0.75000000 1.0 Cs Cs9 1 0.14980794 0.09079269 0.75000000 1.0 Cs Cs10 1 0.35019206 0.59079269 0.25000000 1.0 Cs Cs11 1 0.85019206 0.90920731 0.25000000 1.0 Cr Cr12 1 0.72256359 0.98269207 0.75000000 1.0 Cr Cr13 1 0.22256359 0.51730793 0.75000000 1.0 Cr Cr14 1 0.27743641 0.01730793 0.25000000 1.0 Cr Cr15 1 0.77743641 0.48269207 0.25000000 1.0 Se Se16 1 0.82846660 0.04865158 0.59307180 1.0 Se Se17 1 0.32846660 0.45134842 0.90692820 1.0 Se Se18 1 0.17153340 0.95134842 0.09307180 1.0 Se Se19 1 0.67153340 0.54865158 0.40692820 1.0 Se Se20 1 0.17153340 0.95134842 0.40692820 1.0 Se Se21 1 0.67153340 0.54865158 0.09307180 1.0 Se Se22 1 0.82846660 0.04865158 0.90692820 1.0 Se Se23 1 0.32846660 0.45134842 0.59307180 1.0 Se Se24 1 0.51481486 0.06664444 0.75000000 1.0 Se Se25 1 0.01481486 0.43335556 0.75000000 1.0 Se Se26 1 0.48518514 0.93335556 0.25000000 1.0 Se Se27 1 0.98518514 0.56664444 0.25000000 1.0 Se Se28 1 0.71000349 0.75943388 0.75000000 1.0 Se Se29 1 0.21000349 0.74056612 0.75000000 1.0 Se Se30 1 0.28999651 0.24056612 0.25000000 1.0 Se Se31 1 0.78999651 0.25943388 0.25000000 1.0