# CIF generated by HEAS from Alexandria entry agm005113183 data_agm005113183 _cell_length_a 3.68253 _cell_length_b 3.68253 _cell_length_c 8.73410 _cell_angle_alpha 77.82998 _cell_angle_beta 77.82998 _cell_angle_gamma 60.00000 _cell_volume 99.48936 _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 0.05901 0.05901 0.82297 1.00000 Ca2 Ca 0.27413 0.27413 0.17760 1.00000 Mg1 Mg 0.49953 0.49953 0.50140 1.00000 H1 H 0.66732 0.66732 0.99804 1.00000