# generated using pymatgen data_CaYbAs4F24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.42100352 _cell_length_b 9.42100308 _cell_length_c 9.42100350 _cell_angle_alpha 131.91706515 _cell_angle_beta 131.91706234 _cell_angle_gamma 70.36005059 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaYbAs4F24 _chemical_formula_sum 'Ca1 Yb1 As4 F24' _cell_volume 453.72686583 _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 Ca Ca0 1 0.75000000 0.25000000 0.50000000 1.0 Yb Yb1 1 0.00000000 0.00000000 0.00000000 1.0 As As2 1 0.78261407 0.78261407 1.00000000 1.0 As As3 1 0.21738593 0.21738593 0.00000000 1.0 As As4 1 0.97247474 0.47247474 0.50000000 1.0 As As5 1 0.52752526 0.02752526 0.50000000 1.0 F F6 1 0.86345365 0.75882884 0.20622399 1.0 F F7 1 0.55260486 0.65722966 0.79377601 1.0 F F8 1 0.41002716 0.79527267 0.29970369 1.0 F F9 1 0.34277034 0.13654635 0.89537620 1.0 F F10 1 0.24117116 0.44739514 0.10462380 1.0 F F11 1 0.20472733 0.50443001 0.61475349 1.0 F F12 1 0.65215387 0.26188552 0.68841982 1.0 F F13 1 0.73811448 0.42653430 0.39026935 1.0 F F14 1 0.03626594 0.34784613 0.60973065 1.0 F F15 1 0.08648884 0.27758077 0.10120778 1.0 F F16 1 0.17637299 0.98528006 0.89879222 1.0 F F17 1 0.57346570 0.96373406 0.31158018 1.0 F F18 1 0.72241923 0.82362701 0.80890907 1.0 F F19 1 0.01471994 0.91351116 0.19109093 1.0 F F20 1 0.30786591 0.09026812 0.33576100 1.0 F F21 1 0.90973188 0.24549288 0.21759879 1.0 F F22 1 0.02789509 0.69213409 0.78240121 1.0 F F23 1 0.43345371 0.28392833 0.28936986 1.0 F F24 1 0.99455848 0.14408286 0.71063014 1.0 F F25 1 0.75450712 0.97210491 0.66423900 1.0 F F26 1 0.71607167 0.00544152 0.14952438 1.0 F F27 1 0.85591714 0.56654629 0.85047562 1.0 F F28 1 0.49556999 0.11032248 0.70029631 1.0 F F29 1 0.88967752 0.58997284 0.38524651 1.0