# CIF generated by HEAS from Alexandria entry agm006201486 data_agm006201486 _cell_length_a 3.76966 _cell_length_b 5.17418 _cell_length_c 5.77478 _cell_angle_alpha 83.30772 _cell_angle_beta 91.17534 _cell_angle_gamma 89.51956 _cell_volume 111.83891 _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 H1 H 0.20561 0.14509 0.39363 1.00000 H2 H 0.03613 0.33255 0.74030 1.00000 H3 H 0.46796 0.25323 0.85011 1.00000 H4 H 0.09662 0.15300 0.02021 1.00000 H5 H 0.20805 0.63980 0.36746 1.00000 H6 H 0.43140 0.10700 0.41035 1.00000 H7 H 0.69632 0.79535 0.88758 1.00000 Ca1 Ca 0.18967 0.82505 0.70318 1.00000 Ca2 Ca 0.69733 0.48800 0.19270 1.00000 C1 C 0.20330 0.31832 0.90265 1.00000