# CIF generated by HEAS from Alexandria entry agm080224688 data_agm080224688 _cell_length_a 3.45722 _cell_length_b 3.45737 _cell_length_c 5.72570 _cell_angle_alpha 82.69834 _cell_angle_beta 97.28918 _cell_angle_gamma 98.72349 _cell_volume 66.69319 _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 Ca1 Ca 0.49998 0.50002 0.50002 1.00000 Hf1 Hf 0.00000 1.00000 0.00001 1.00000 H1 H 0.92622 0.07397 0.64351 1.00000 H2 H 0.07375 0.92605 0.35648 1.00000 H3 H 0.97823 0.53564 0.81493 1.00000 H4 H 0.02181 0.46436 0.18506 1.00000 H5 H 0.53571 0.97871 0.18510 1.00000 H6 H 0.46429 0.02125 0.81489 1.00000