# CIF generated by HEAS from Alexandria entry agm005994191 data_agm005994191 _cell_length_a 4.34766 _cell_length_b 6.01446 _cell_length_c 6.01446 _cell_angle_alpha 92.14892 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 157.16046 _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 0.25000 0.62443 0.87292 1.00000 Ti2 Ti 0.25000 0.12708 0.37557 1.00000 Ti3 Ti 0.25000 0.11400 0.88601 1.00000 Ti4 Ti 0.75000 0.37557 0.12708 1.00000 Ti5 Ti 0.75000 0.87292 0.62443 1.00000 Ti6 Ti 0.75000 0.88600 0.11399 1.00000 V1 V 0.75000 0.35553 0.64447 1.00000 V2 V 0.25000 0.64447 0.35553 1.00000 C1 C 0.75000 0.61541 0.86369 1.00000 C2 C 0.75000 0.13630 0.38459 1.00000 C3 C 0.75000 0.12773 0.87227 1.00000 C4 C 0.25000 0.38459 0.13631 1.00000 C5 C 0.25000 0.86370 0.61541 1.00000 C6 C 0.25000 0.87227 0.12773 1.00000