# CIF generated by HEAS from Alexandria entry agm005083267 data_agm005083267 _cell_length_a 5.47891 _cell_length_b 5.47891 _cell_length_c 9.72776 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 252.89013 _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 0.00000 0.00000 1.00000 Ca2 Ca 0.00000 0.00000 0.50000 1.00000 Pa1 Pa 0.33333 0.66667 0.25000 1.00000 Pa2 Pa 0.66667 0.33333 0.75000 1.00000 V1 V 0.66667 0.33333 0.25000 1.00000 V2 V 0.33333 0.66667 0.75000 1.00000 O1 O 0.65338 0.61796 0.14177 1.00000 O2 O 0.96458 0.34662 0.14177 1.00000 O3 O 0.34662 0.96458 0.64177 1.00000 O4 O 0.03542 0.65338 0.85823 1.00000 O5 O 0.38204 0.34662 0.35823 1.00000 O6 O 0.96458 0.61796 0.35823 1.00000 O7 O 0.61796 0.96458 0.85823 1.00000 O8 O 0.65338 0.03542 0.35823 1.00000 O9 O 0.03542 0.38204 0.64177 1.00000 O10 O 0.38204 0.03542 0.14177 1.00000 O11 O 0.61796 0.65338 0.64177 1.00000 O12 O 0.34662 0.38204 0.85823 1.00000