# CIF generated by HEAS from Alexandria entry agm005493322 data_agm005493322 _cell_length_a 13.15550 _cell_length_b 13.15550 _cell_length_c 13.15550 _cell_angle_alpha 157.95102 _cell_angle_beta 157.95102 _cell_angle_gamma 31.38066 _cell_volume 320.62365 _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 0.00000 0.50000 0.50000 1.00000 Ca2 Ca 0.50000 0.00000 0.50000 1.00000 Ca3 Ca 0.75000 0.25000 0.50000 1.00000 Ca4 Ca 0.25000 0.75000 0.50000 1.00000 Ca5 Ca 0.87008 0.87008 0.00000 1.00000 Ca6 Ca 0.12992 0.12992 0.00000 1.00000 C1 C 0.52533 0.52533 0.00000 1.00000 C2 C 0.47467 0.47467 0.00000 1.00000