# CIF generated by HEAS from Alexandria entry agm010504841 data_agm010504841 _cell_length_a 5.39781 _cell_length_b 10.91422 _cell_length_c 7.77895 _cell_angle_alpha 90.00000 _cell_angle_beta 90.16910 _cell_angle_gamma 90.00000 _cell_volume 458.27797 _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 0.50000 0.99671 0.75000 1.00000 Ca2 Ca 0.50000 0.00329 0.25000 1.00000 Ca3 Ca 0.00000 0.24387 0.25000 1.00000 Ca4 Ca 0.50000 0.49514 0.75000 1.00000 Ca5 Ca 0.00000 0.74798 0.25000 1.00000 Ca6 Ca 0.00000 0.25202 0.75000 1.00000 Ca7 Ca 0.50000 0.50486 0.25000 1.00000 Ca8 Ca 0.00000 0.75613 0.75000 1.00000 Ti1 Ti 0.50297 0.25075 0.00032 1.00000 Ti2 Ti 0.00000 0.50000 0.50000 1.00000 Ti3 Ti 0.49703 0.25075 0.49968 1.00000 Ti4 Ti 0.00000 0.50000 0.00000 1.00000 Ti5 Ti 0.50297 0.74925 0.50032 1.00000 Ti6 Ti 0.49703 0.74925 0.99968 1.00000 V1 V 0.00000 0.00000 0.50000 1.00000 V2 V 0.00000 0.00000 0.00000 1.00000 O1 O 0.79243 0.14910 0.97428 1.00000 O2 O 0.00000 0.02859 0.25000 1.00000 O3 O 0.20757 0.14910 0.52572 1.00000 O4 O 0.30194 0.39988 0.47524 1.00000 O5 O 0.28947 0.09945 0.97502 1.00000 O6 O 0.50000 0.27718 0.75000 1.00000 O7 O 0.50000 0.22248 0.25000 1.00000 O8 O 0.69806 0.39988 0.02476 1.00000 O9 O 0.71053 0.09945 0.52498 1.00000 O10 O 0.80163 0.64994 0.97505 1.00000 O11 O 0.80163 0.35006 0.47505 1.00000 O12 O 0.00000 0.52769 0.25000 1.00000 O13 O 0.00000 0.47231 0.75000 1.00000 O14 O 0.19837 0.64994 0.52495 1.00000 O15 O 0.19837 0.35006 0.02495 1.00000 O16 O 0.28947 0.90055 0.47502 1.00000 O17 O 0.30194 0.60012 0.97524 1.00000 O18 O 0.50000 0.77752 0.75000 1.00000 O19 O 0.50000 0.72282 0.25000 1.00000 O20 O 0.71053 0.90055 0.02498 1.00000 O21 O 0.69806 0.60012 0.52476 1.00000 O22 O 0.79243 0.85090 0.47428 1.00000 O23 O 0.00000 0.97141 0.75000 1.00000 O24 O 0.20757 0.85090 0.02572 1.00000