# generated using pymatgen data_Cs6TaAs4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.11439493 _cell_length_b 11.11439526 _cell_length_c 9.01968722 _cell_angle_alpha 89.96149923 _cell_angle_beta 89.96149426 _cell_angle_gamma 119.97271386 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs6TaAs4 _chemical_formula_sum 'Cs12 Ta2 As8' _cell_volume 965.18980199 _cell_formula_units_Z 2 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 0.46423545 0.53569332 0.60519041 1.0 Cs Cs1 1 0.07072529 0.53550641 0.60555536 1.0 Cs Cs2 1 0.53569332 0.46423545 0.10519041 1.0 Cs Cs3 1 0.53550641 0.07072529 0.10555536 1.0 Cs Cs4 1 0.85500508 0.14430318 0.79019181 1.0 Cs Cs5 1 0.29106071 0.14567984 0.79172388 1.0 Cs Cs6 1 0.85467785 0.71039361 0.78890278 1.0 Cs Cs7 1 0.14430318 0.85500508 0.29019181 1.0 Cs Cs8 1 0.71039361 0.85467785 0.28890278 1.0 Cs Cs9 1 0.14567984 0.29106071 0.29172388 1.0 Cs Cs10 1 0.46423149 0.92849551 0.60462535 1.0 Cs Cs11 1 0.92849551 0.46423149 0.10462535 1.0 Ta Ta12 1 0.66655530 0.33346096 0.50143031 1.0 Ta Ta13 1 0.33346096 0.66655530 0.00143031 1.0 As As14 1 0.66705846 0.33368977 0.77514539 1.0 As As15 1 0.33368977 0.66705846 0.27514539 1.0 As As16 1 0.21036065 0.78941521 0.91454842 1.0 As As17 1 0.57930990 0.78928781 0.91439423 1.0 As As18 1 0.21028186 0.42056935 0.91549206 1.0 As As19 1 0.78941521 0.21036065 0.41454842 1.0 As As20 1 0.42056935 0.21028186 0.41549206 1.0 As As21 1 0.78928781 0.57930990 0.41439423 1.0