# generated using pymatgen data_KBa4(FeAs)10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96054061 _cell_length_b 8.96054061 _cell_length_c 8.96054061 _cell_angle_alpha 121.04622463 _cell_angle_beta 121.04622463 _cell_angle_gamma 88.19724084 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBa4(FeAs)10 _chemical_formula_sum 'K1 Ba4 Fe10 As10' _cell_volume 500.41654529 _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 K K0 1 0.00000000 0.00000000 0.00000000 1.0 Ba Ba1 1 0.39358600 0.80228700 0.19587400 1.0 Ba Ba2 1 0.80228700 0.60641400 0.40870100 1.0 Ba Ba3 1 0.19771300 0.39358600 0.59129900 1.0 Ba Ba4 1 0.60641400 0.19771300 0.80412600 1.0 Fe Fe5 1 0.94986100 0.64970300 0.10047500 1.0 Fe Fe6 1 0.35029700 0.45077200 0.30015800 1.0 Fe Fe7 1 0.75000000 0.25000000 0.50000000 1.0 Fe Fe8 1 0.15061400 0.05013800 0.69984200 1.0 Fe Fe9 1 0.54922800 0.84938600 0.89952500 1.0 Fe Fe10 1 0.64970300 0.54922800 0.69984200 1.0 Fe Fe11 1 0.05013800 0.35029700 0.89952500 1.0 Fe Fe12 1 0.45077200 0.15061400 0.10047500 1.0 Fe Fe13 1 0.84938600 0.94986200 0.30015800 1.0 Fe Fe14 1 0.25000000 0.75000000 0.50000000 1.0 As As15 1 0.94484100 0.54494400 0.80083200 1.0 As As16 1 0.34424800 0.34424800 0.00000000 1.0 As As17 1 0.74411200 0.14400800 0.19916800 1.0 As As18 1 0.14400800 0.94484100 0.39989700 1.0 As As19 1 0.54494400 0.74411200 0.60010300 1.0 As As20 1 0.65575200 0.65575200 0.00000000 1.0 As As21 1 0.05515900 0.45505600 0.19916800 1.0 As As22 1 0.45505600 0.25588800 0.39989700 1.0 As As23 1 0.85599200 0.05515900 0.60010300 1.0 As As24 1 0.25588800 0.85599200 0.80083200 1.0