# CIF generated by HEAS from Alexandria entry agm005444552 data_agm005444552 _cell_length_a 10.07682 _cell_length_b 10.07682 _cell_length_c 6.08986 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 159.11519 _cell_volume 220.44578 _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 0.00986 0.99014 0.00000 1.00000 Ca2 Ca 0.33632 0.66368 0.00000 1.00000 Ca3 Ca 0.66308 0.33692 0.00000 1.00000 Ca4 Ca 0.45272 0.54728 0.50000 1.00000 Ca5 Ca 0.76350 0.23650 0.50000 1.00000 Zr1 Zr 0.10787 0.89213 0.50000 1.00000