# generated using pymatgen data_KTbF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41633300 _cell_length_b 8.58148398 _cell_length_c 11.17768148 _cell_angle_alpha 79.05550266 _cell_angle_beta 75.67228650 _cell_angle_gamma 70.53431473 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTbF5 _chemical_formula_sum 'K6 Tb6 F30' _cell_volume 645.35287852 _cell_formula_units_Z 6 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 0.28195300 0.50159900 0.23648900 1.0 K K1 1 0.27725600 0.84844500 0.93431200 1.0 K K2 1 0.76550600 0.82218200 0.42646200 1.0 K K3 1 0.23449400 0.17781800 0.57353800 1.0 K K4 1 0.72274400 0.15155500 0.06568800 1.0 K K5 1 0.71804700 0.49840100 0.76351100 1.0 Tb Tb6 1 0.76077500 0.66588500 0.08543300 1.0 Tb Tb7 1 0.70516100 0.03689700 0.74208900 1.0 Tb Tb8 1 0.23922500 0.33411500 0.91456700 1.0 Tb Tb9 1 0.29483900 0.96310300 0.25791100 1.0 Tb Tb10 1 0.73108400 0.33334000 0.44100400 1.0 Tb Tb11 1 0.26891600 0.66666000 0.55899600 1.0 F F12 1 0.42554100 0.75128400 0.13677800 1.0 F F13 1 0.61786000 0.81586200 0.69195100 1.0 F F14 1 0.98166800 0.85279000 0.64494300 1.0 F F15 1 0.37207100 0.11123300 0.79470000 1.0 F F16 1 0.68529500 0.87164400 0.92759000 1.0 F F17 1 0.98298000 0.25664400 0.88032200 1.0 F F18 1 0.16262700 0.76366000 0.37383300 1.0 F F19 1 0.65937400 0.48722100 0.01405500 1.0 F F20 1 0.04052300 0.96365400 0.15463900 1.0 F F21 1 0.01702000 0.74335600 0.11967800 1.0 F F22 1 0.34062600 0.51277900 0.98594500 1.0 F F23 1 0.95947700 0.03634600 0.84536100 1.0 F F24 1 0.31470500 0.12835600 0.07241000 1.0 F F25 1 0.62644400 0.11434000 0.54946700 1.0 F F26 1 0.62792900 0.88876700 0.20530000 1.0 F F27 1 0.70751400 0.53434100 0.27835100 1.0 F F28 1 0.98041700 0.57871600 0.89861000 1.0 F F29 1 0.37355600 0.88566000 0.45053300 1.0 F F30 1 0.40012400 0.43579000 0.45872600 1.0 F F31 1 0.01958300 0.42128400 0.10139000 1.0 F F32 1 0.57445900 0.24871600 0.86322200 1.0 F F33 1 0.29248600 0.46565900 0.72164900 1.0 F F34 1 0.65208100 0.21010700 0.29362200 1.0 F F35 1 0.59987600 0.56421000 0.54127400 1.0 F F36 1 0.83737300 0.23634000 0.62616700 1.0 F F37 1 0.00404500 0.55496100 0.57115700 1.0 F F38 1 0.38214000 0.18413800 0.30804900 1.0 F F39 1 0.34791900 0.78989300 0.70637800 1.0 F F40 1 0.01833200 0.14721000 0.35505700 1.0 F F41 1 0.99595500 0.44503900 0.42884300 1.0