# CIF generated by HEAS from Alexandria entry agm005430516 data_agm005430516 _cell_length_a 6.32718 _cell_length_b 6.32718 _cell_length_c 7.74416 _cell_angle_alpha 76.60198 _cell_angle_beta 76.60198 _cell_angle_gamma 29.69054 _cell_volume 149.08219 _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 0.00052 0.00052 0.99411 1.00000 Zr1 Zr 0.32729 0.32729 0.33978 1.00000 Zr2 Zr 0.68041 0.68041 0.65499 1.00000 Zr3 Zr 0.61165 0.61165 0.29429 1.00000 Zr4 Zr 0.94492 0.94492 0.60218 1.00000 Zr5 Zr 0.26855 0.26855 0.94798 1.00000