# CIF generated by HEAS from Alexandria entry agm007016271 data_agm007016271 _cell_length_a 5.82730 _cell_length_b 5.82730 _cell_length_c 5.82730 _cell_angle_alpha 119.31378 _cell_angle_beta 121.10082 _cell_angle_gamma 89.64833 _cell_volume 139.43805 _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 0.62810 0.87810 0.75000 1.00000 Ca2 Ca 0.37190 0.12190 0.25000 1.00000 Fe1 Fe 0.00000 0.00000 0.50000 1.00000 Fe2 Fe 0.00000 0.50000 0.00000 1.00000 Cu1 Cu 0.00000 0.50000 0.50000 1.00000 Cu2 Cu 0.50000 0.50000 0.00000 1.00000 H1 H 0.08832 0.83832 0.25000 1.00000 H2 H 0.65400 0.40400 0.25000 1.00000 H3 H 0.66459 0.39084 0.80202 1.00000 H4 H 0.08882 0.86258 0.69798 1.00000 H5 H 0.08882 0.39084 0.22624 1.00000 H6 H 0.66459 0.86258 0.27376 1.00000 H7 H 0.91168 0.16168 0.75000 1.00000 H8 H 0.34600 0.59600 0.75000 1.00000 H9 H 0.33541 0.60916 0.19798 1.00000 H10 H 0.91118 0.13742 0.30202 1.00000 H11 H 0.91118 0.60916 0.77376 1.00000 H12 H 0.33541 0.13742 0.72624 1.00000