# CIF generated by HEAS from Alexandria entry agm006190859 data_agm006190859 _cell_length_a 5.29581 _cell_length_b 5.29581 _cell_length_c 6.48941 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 119.99999 _cell_volume 157.61632 _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 Ti1 Ti 0.33333 0.66667 0.85756 1.00000 Ti2 Ti 0.66667 0.33333 0.14244 1.00000 Ca1 Ca 0.33333 0.66667 0.36287 1.00000 Ca2 Ca 0.00000 0.00000 0.00000 1.00000 Ca3 Ca 0.66667 0.33333 0.63713 1.00000 H1 H 0.82200 0.64400 0.33051 1.00000 H2 H 0.82200 0.17800 0.33051 1.00000 H3 H 0.50000 0.00000 0.00000 1.00000 H4 H 0.17800 0.82200 0.66949 1.00000 H5 H 0.64400 0.82200 0.66949 1.00000 H6 H 0.35600 0.17800 0.33051 1.00000 H7 H 0.17800 0.35600 0.66949 1.00000 H8 H 0.00000 0.50000 0.00000 1.00000 H9 H 0.50000 0.50000 0.00000 1.00000