# CIF generated by HEAS from Alexandria entry agm007335019 data_agm007335019 _cell_length_a 6.22022 _cell_length_b 6.22022 _cell_length_c 6.22022 _cell_angle_alpha 44.99818 _cell_angle_beta 44.99818 _cell_angle_gamma 44.99818 _cell_volume 109.51776 _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 Ba1 Ba 0.00000 0.00000 0.00000 1.00000 Cu1 Cu 0.50000 0.50000 0.50000 1.00000 Cu2 Cu 0.79042 0.79042 0.79042 1.00000 Cu3 Cu 0.20958 0.20958 0.20958 1.00000 H1 H 0.57651 0.12370 0.57651 1.00000 H2 H 0.87630 0.42349 0.42349 1.00000 H3 H 0.42349 0.87630 0.42349 1.00000 H4 H 0.12370 0.57651 0.57651 1.00000 H5 H 0.57651 0.57651 0.12370 1.00000 H6 H 0.42349 0.42349 0.87630 1.00000