# CIF generated by HEAS from Alexandria entry agm007478552 data_agm007478552 _cell_length_a 4.51325 _cell_length_b 4.51325 _cell_length_c 6.89448 _cell_angle_alpha 66.37781 _cell_angle_beta 66.37781 _cell_angle_gamma 68.01036 _cell_volume 113.99689 _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 0.50000 0.50000 0.00000 1.00000 Mg1 Mg 0.00000 0.00000 0.50000 1.00000 Cu1 Cu 0.32837 0.32837 0.67637 1.00000 Cu2 Cu 0.67163 0.67163 0.32363 1.00000 H1 H 0.88736 0.88736 0.29853 1.00000 H2 H 0.57386 0.57386 0.59435 1.00000 H3 H 0.11264 0.11264 0.70147 1.00000 H4 H 0.42614 0.42614 0.40565 1.00000 H5 H 0.58232 0.03967 0.80481 1.00000 H6 H 0.41768 0.96033 0.19519 1.00000 H7 H 0.03967 0.58232 0.80481 1.00000 H8 H 0.96033 0.41768 0.19519 1.00000