# CIF generated by HEAS from Alexandria entry agm005472254 data_agm005472254 _cell_length_a 4.98008 _cell_length_b 4.98008 _cell_length_c 4.98008 _cell_angle_alpha 116.08657 _cell_angle_beta 116.08657 _cell_angle_gamma 96.92342 _cell_volume 91.77619 _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 0.75000 0.75000 0.00000 1.00000 Ca2 Ca 0.25000 0.25000 0.00000 1.00000 C1 C 0.41582 0.08418 0.50000 1.00000 C2 C 0.58418 0.91582 0.50000 1.00000 C3 C 0.08418 0.58418 0.66836 1.00000 C4 C 0.91582 0.41582 0.33164 1.00000