# CIF generated by HEAS from Alexandria entry agm003658855 data_agm003658855 _cell_length_a 4.57478 _cell_length_b 5.57625 _cell_length_c 5.57625 _cell_angle_alpha 80.31301 _cell_angle_beta 65.78249 _cell_angle_gamma 65.78249 _cell_volume 118.31498 _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 Zr1 Zr 0.40044 0.39880 0.80238 1.00000 Zr2 Zr 0.79925 0.80238 0.60120 1.00000 Zr3 Zr 0.20282 0.19762 0.39880 1.00000 Zr4 Zr 0.60162 0.60120 0.19762 1.00000 Ti1 Ti 0.00102 0.00000 1.00000 1.00000 N1 N 0.90310 0.39050 0.80537 1.00000 N2 N 0.29359 0.80537 0.60950 1.00000 N3 N 0.70847 0.19463 0.39050 1.00000 N4 N 0.09896 0.60950 0.19463 1.00000 N5 N 0.50103 1.00000 1.00000 1.00000