# CIF generated by HEAS from Alexandria entry agm012581997 data_agm012581997 _cell_length_a 9.78434 _cell_length_b 9.78434 _cell_length_c 12.18443 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 141.97157 _cell_volume 718.59777 _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 0.17592 0.17592 0.64936 1.00000 Ca2 Ca 0.32408 0.32408 0.14936 1.00000 Ca3 Ca 0.67592 0.67592 0.85064 1.00000 Ca4 Ca 0.82408 0.82408 0.35064 1.00000 Ca5 Ca 0.86590 0.50919 0.13116 1.00000 Ca6 Ca 0.63410 0.99081 0.63116 1.00000 Ca7 Ca 0.00919 0.36590 0.36884 1.00000 Ca8 Ca 0.49081 0.13410 0.86884 1.00000 Ca9 Ca 0.13410 0.49081 0.86884 1.00000 Ca10 Ca 0.36590 0.00919 0.36884 1.00000 Ca11 Ca 0.99081 0.63410 0.63116 1.00000 Ca12 Ca 0.50919 0.86590 0.13116 1.00000 Al1 Al 0.08631 0.91369 0.00000 1.00000 Al2 Al 0.41369 0.58631 0.50000 1.00000 Al3 Al 0.91369 0.08631 0.00000 1.00000 Al4 Al 0.58631 0.41369 0.50000 1.00000 As1 As 0.71872 0.71872 0.60810 1.00000 As2 As 0.78128 0.78128 0.10810 1.00000 As3 As 0.21872 0.21872 0.89190 1.00000 As4 As 0.28128 0.28128 0.39190 1.00000 As5 As 0.37826 0.05695 0.12320 1.00000 As6 As 0.12174 0.44305 0.62320 1.00000 As7 As 0.55695 0.87826 0.37680 1.00000 As8 As 0.94305 0.62174 0.87680 1.00000 As9 As 0.62174 0.94305 0.87680 1.00000 As10 As 0.87826 0.55695 0.37680 1.00000 As11 As 0.44305 0.12174 0.62320 1.00000 As12 As 0.05695 0.37826 0.12320 1.00000