# generated using pymatgen data_Cs3As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58354878 _cell_length_b 8.58354878 _cell_length_c 5.85569488 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000079 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs3As _chemical_formula_sum 'Cs6 As2' _cell_volume 373.63093497 _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 0.18520089 0.37040177 0.25000000 1.0 Cs Cs1 1 0.62959823 0.81479911 0.25000000 1.0 Cs Cs2 1 0.18520089 0.81479911 0.25000000 1.0 Cs Cs3 1 0.81479911 0.62959823 0.75000000 1.0 Cs Cs4 1 0.37040177 0.18520089 0.75000000 1.0 Cs Cs5 1 0.81479911 0.18520089 0.75000000 1.0 As As6 1 0.33333300 0.66666700 0.75000000 1.0 As As7 1 0.66666700 0.33333300 0.25000000 1.0