# CIF generated by HEAS from Alexandria entry agm006190858 data_agm006190858 _cell_length_a 4.98412 _cell_length_b 4.89673 _cell_length_c 6.80454 _cell_angle_alpha 91.26854 _cell_angle_beta 88.03835 _cell_angle_gamma 120.50540 _cell_volume 142.99764 _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 0.36020 0.62154 0.61501 1.00000 Ca2 Ca 0.70600 0.29911 0.32459 1.00000 Ti1 Ti 0.36582 0.62269 0.09585 1.00000 Ti2 Ti 0.98680 0.93128 0.97470 1.00000 Ti3 Ti 0.65846 0.27607 0.87765 1.00000 H1 H 0.73831 0.79895 0.23354 1.00000 H2 H 0.95740 0.30554 0.04876 1.00000 H3 H 0.38046 0.01027 0.07174 1.00000 H4 H 0.91525 0.66419 0.74120 1.00000 H5 H 0.62687 0.87990 0.87263 1.00000 H6 H 0.25035 0.32789 0.30677 1.00000 H7 H 0.49023 0.16458 0.62689 1.00000 H8 H 0.24395 0.76304 0.32807 1.00000 H9 H 0.31989 0.33494 0.88260 1.00000