# CIF generated by HEAS from Alexandria entry agm005684196 data_agm005684196 _cell_length_a 3.17322 _cell_length_b 6.00680 _cell_length_c 6.00680 _cell_angle_alpha 90.73664 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 114.48558 _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 0.00000 0.49808 0.99765 1.00000 Ti2 Ti 0.00000 0.00235 0.50192 1.00000 Ti3 Ti 0.50000 0.17490 0.82510 1.00000 B1 B 0.00000 0.61142 0.38858 1.00000 B2 B 0.00000 0.39181 0.60819 1.00000 B3 B 0.00000 0.88986 0.89231 1.00000 B4 B 0.00000 0.10769 0.11014 1.00000 W1 W 0.50000 0.82165 0.17835 1.00000 W2 W 0.50000 0.32434 0.32210 1.00000 W3 W 0.50000 0.67790 0.67566 1.00000