# CIF generated by HEAS from Alexandria entry agm005772247 data_agm005772247 _cell_length_a 3.91599 _cell_length_b 4.37693 _cell_length_c 6.11342 _cell_angle_alpha 89.99998 _cell_angle_beta 108.67940 _cell_angle_gamma 90.00000 _cell_volume 99.26473 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pa1 Pa 0.36718 0.75000 0.73436 1.00000 Pa2 Pa 0.63282 0.25000 0.26564 1.00000 Fe1 Fe 0.10482 0.75000 0.20965 1.00000 Fe2 Fe 0.89518 0.25000 0.79035 1.00000 H1 H 0.19992 0.47541 0.39985 1.00000 H2 H 0.80008 0.52459 0.60015 1.00000 H3 H 0.19992 0.02459 0.39985 1.00000 H4 H 0.80008 0.97541 0.60015 1.00000 H5 H 0.57854 0.75000 0.15707 1.00000 H6 H 0.42146 0.25000 0.84293 1.00000 H7 H 0.00000 0.50000 0.00000 1.00000 H8 H 0.00000 0.00000 0.00000 1.00000