# CIF generated by HEAS from Alexandria entry agm007016301 data_agm007016301 _cell_length_a 6.74390 _cell_length_b 6.74390 _cell_length_c 6.74390 _cell_angle_alpha 134.95402 _cell_angle_beta 116.13772 _cell_angle_gamma 81.54287 _cell_volume 188.23799 _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 0.70667 0.45667 0.25000 1.00000 Ca2 Ca 0.29333 0.54333 0.75000 1.00000 Cu1 Cu 0.00000 0.00000 0.50000 1.00000 Cu2 Cu 0.00000 0.50000 0.00000 1.00000 H1 H 0.71035 0.96035 0.75000 1.00000 H2 H 0.08576 0.33576 0.75000 1.00000 H3 H 0.07915 0.34577 0.19644 1.00000 H4 H 0.64932 0.88270 0.30356 1.00000 H5 H 0.07915 0.88270 0.73338 1.00000 H6 H 0.64932 0.34577 0.76662 1.00000 H7 H 0.28965 0.03965 0.25000 1.00000 H8 H 0.91424 0.66424 0.25000 1.00000 H9 H 0.92085 0.65423 0.80356 1.00000 H10 H 0.35068 0.11730 0.69644 1.00000 H11 H 0.92085 0.11730 0.26662 1.00000 H12 H 0.35068 0.65423 0.23338 1.00000 Pd1 Pd 0.50000 0.00000 0.50000 1.00000 Pd2 Pd 0.00000 0.00000 0.00000 1.00000