# CIF generated by HEAS from Alexandria entry agm001192583 data_agm001192583 _cell_length_a 3.85225 _cell_length_b 3.94479 _cell_length_c 6.78142 _cell_angle_alpha 106.90901 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 98.59762 _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 As1 As 0.00000 0.00000 0.00000 1.00000 Ti1 Ti 0.00000 0.66830 0.33659 1.00000 Ti2 Ti 0.00000 0.33170 0.66341 1.00000 Ti3 Ti 0.50000 0.50000 0.00000 1.00000 Ti4 Ti 0.50000 0.16513 0.33025 1.00000 Ti5 Ti 0.50000 0.83487 0.66975 1.00000