# CIF generated by HEAS from Alexandria entry agm007182776 data_agm007182776 _cell_length_a 5.98089 _cell_length_b 5.98089 _cell_length_c 5.98089 _cell_angle_alpha 42.81329 _cell_angle_beta 42.81329 _cell_angle_gamma 42.81329 _cell_volume 89.53104 _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 Pa1 Pa 0.50000 0.50000 0.50000 1.00000 Mn1 Mn 0.00000 0.00000 0.00000 1.00000 Cu1 Cu 0.72018 0.72018 0.72018 1.00000 Cu2 Cu 0.27982 0.27982 0.27982 1.00000 H1 H 0.82403 0.82403 0.82403 1.00000 H2 H 0.12334 0.32959 0.71557 1.00000 H3 H 0.17597 0.17597 0.17597 1.00000 H4 H 0.71557 0.12334 0.32959 1.00000 H5 H 0.28443 0.87666 0.67041 1.00000 H6 H 0.32959 0.71557 0.12334 1.00000 H7 H 0.67041 0.28443 0.87666 1.00000 H8 H 0.87666 0.67041 0.28443 1.00000