# CIF generated by HEAS from Alexandria entry agm007235694 data_agm007235694 _cell_length_a 4.45613 _cell_length_b 4.45613 _cell_length_c 6.34574 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 109.12594 _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 0.00000 0.00000 0.50000 1.00000 Mg1 Mg 0.66667 0.33333 0.13911 1.00000 Mg2 Mg 0.33333 0.66667 0.86089 1.00000 Cu1 Cu 0.00000 0.00000 0.00000 1.00000 H1 H 0.82247 0.64493 0.83948 1.00000 H2 H 0.35507 0.17753 0.83948 1.00000 H3 H 0.82247 0.17753 0.83948 1.00000 H4 H 0.17753 0.35507 0.16052 1.00000 H5 H 0.64493 0.82247 0.16052 1.00000 H6 H 0.17753 0.82247 0.16052 1.00000 H7 H 0.66667 0.33333 0.43108 1.00000 H8 H 0.33333 0.66667 0.56892 1.00000