# CIF generated by HEAS from Alexandria entry agm004775111 data_agm004775111 _cell_length_a 3.08914 _cell_length_b 5.61148 _cell_length_c 10.81659 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 105.97703 _cell_volume 180.25892 _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 0.10629 0.21259 0.75000 1.00000 Ca2 Ca 0.89371 0.78741 0.25000 1.00000 Ti1 Ti 0.37060 0.74120 0.53618 1.00000 Ti2 Ti 0.62940 0.25880 0.03618 1.00000 Ti3 Ti 0.62940 0.25880 0.46382 1.00000 Ti4 Ti 0.37060 0.74120 0.96382 1.00000 V1 V 0.83842 0.67685 0.75000 1.00000 V2 V 0.16158 0.32315 0.25000 1.00000 N1 N 0.26232 0.52465 0.11262 1.00000 N2 N 0.73768 0.47535 0.61262 1.00000 N3 N 0.73768 0.47535 0.88738 1.00000 N4 N 0.26232 0.52465 0.38738 1.00000 N5 N 0.00000 0.00000 0.50000 1.00000 N6 N 0.00000 0.00000 0.00000 1.00000 N7 N 0.43695 0.87390 0.75000 1.00000 N8 N 0.56305 0.12610 0.25000 1.00000