# generated using pymatgen data_Cs(Cr5Se8)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26604649 _cell_length_b 9.66908783 _cell_length_c 9.90166162 _cell_angle_alpha 72.94852985 _cell_angle_beta 68.44429816 _cell_angle_gamma 79.16486012 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs(Cr5Se8)2 _chemical_formula_sum 'Cs1 Cr10 Se16' _cell_volume 616.03302521 _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 Cs Cs0 1 0.00000000 0.00000000 0.00000000 1.0 Cr Cr1 1 0.83905080 0.68424799 0.48023860 1.0 Cr Cr2 1 0.33889251 0.68216098 0.48102541 1.0 Cr Cr3 1 0.66110749 0.31783902 0.51897459 1.0 Cr Cr4 1 0.16094920 0.31575201 0.51976140 1.0 Cr Cr5 1 0.81633774 0.41069503 0.16237044 1.0 Cr Cr6 1 0.31625040 0.40911339 0.16316365 1.0 Cr Cr7 1 0.68374960 0.59088661 0.83683635 1.0 Cr Cr8 1 0.18366226 0.58930497 0.83762956 1.0 Cr Cr9 1 0.50000000 0.00000000 0.50000000 1.0 Cr Cr10 1 0.00000000 0.00000000 0.50000000 1.0 Se Se11 1 0.78941070 0.15133160 0.34590573 1.0 Se Se12 1 0.28945821 0.15092787 0.34565593 1.0 Se Se13 1 0.71054179 0.84907213 0.65434407 1.0 Se Se14 1 0.21058930 0.84866840 0.65409427 1.0 Se Se15 1 0.95950867 0.47804772 0.34249089 1.0 Se Se16 1 0.45948681 0.47752518 0.34278937 1.0 Se Se17 1 0.54051319 0.52247482 0.65721063 1.0 Se Se18 1 0.04049133 0.52195228 0.65750911 1.0 Se Se19 1 0.62641930 0.82424631 0.33148400 1.0 Se Se20 1 0.13047443 0.82431803 0.33104817 1.0 Se Se21 1 0.86952557 0.17568197 0.66895183 1.0 Se Se22 1 0.37358070 0.17575369 0.66851600 1.0 Se Se23 1 0.34005630 0.65622750 0.99228454 1.0 Se Se24 1 0.83915772 0.65706445 0.99186296 1.0 Se Se25 1 0.16084228 0.34293555 0.00813704 1.0 Se Se26 1 0.65994370 0.34377250 0.00771546 1.0