# CIF generated by HEAS from Alexandria entry agm005265995 data_agm005265995 _cell_length_a 6.93200 _cell_length_b 7.25914 _cell_length_c 14.69733 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 739.57432 _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 Th1 Th 0.85457 0.25000 0.95470 1.00000 Th2 Th 0.14543 0.75000 0.04530 1.00000 Th3 Th 0.85457 0.75000 0.54530 1.00000 Th4 Th 0.14543 0.25000 0.45470 1.00000 V1 V 0.43690 0.00000 0.25000 1.00000 V2 V 0.56310 0.50000 0.75000 1.00000 V3 V 0.56310 0.00000 0.75000 1.00000 V4 V 0.43690 0.50000 0.25000 1.00000 V5 V 0.80161 0.25000 0.22996 1.00000 V6 V 0.19839 0.75000 0.77004 1.00000 V7 V 0.80161 0.75000 0.27004 1.00000 V8 V 0.19839 0.25000 0.72996 1.00000 Se1 Se 0.30688 0.25000 0.04411 1.00000 Se2 Se 0.69312 0.75000 0.95589 1.00000 Se3 Se 0.30688 0.75000 0.45589 1.00000 Se4 Se 0.69312 0.25000 0.54411 1.00000 O1 O 0.17199 0.07498 0.98969 1.00000 O2 O 0.82801 0.57498 0.01031 1.00000 O3 O 0.17199 0.92502 0.51031 1.00000 O4 O 0.82801 0.42502 0.48969 1.00000 O5 O 0.82801 0.92502 0.01031 1.00000 O6 O 0.17199 0.42502 0.98969 1.00000 O7 O 0.82801 0.07498 0.48969 1.00000 O8 O 0.17199 0.57498 0.51031 1.00000 O9 O 0.52377 0.25000 0.98880 1.00000 O10 O 0.47623 0.75000 0.01120 1.00000 O11 O 0.52377 0.75000 0.51120 1.00000 O12 O 0.47623 0.25000 0.48880 1.00000 O13 O 0.29937 0.95250 0.15834 1.00000 O14 O 0.70063 0.45250 0.84166 1.00000 O15 O 0.29937 0.04750 0.34166 1.00000 O16 O 0.70063 0.54750 0.65834 1.00000 O17 O 0.70063 0.04750 0.84166 1.00000 O18 O 0.29937 0.54750 0.15834 1.00000 O19 O 0.70063 0.95250 0.65834 1.00000 O20 O 0.29937 0.45250 0.34166 1.00000 O21 O 0.51105 0.75000 0.27785 1.00000 O22 O 0.48895 0.25000 0.72215 1.00000 O23 O 0.51105 0.25000 0.22215 1.00000 O24 O 0.48895 0.75000 0.77785 1.00000 O25 O 0.72096 0.00000 0.25000 1.00000 O26 O 0.27904 0.50000 0.75000 1.00000 O27 O 0.27904 0.00000 0.75000 1.00000 O28 O 0.72096 0.50000 0.25000 1.00000 O29 O 0.97290 0.25000 0.31142 1.00000 O30 O 0.02710 0.75000 0.68858 1.00000 O31 O 0.97290 0.75000 0.18858 1.00000 O32 O 0.02710 0.25000 0.81142 1.00000 O33 O 0.89821 0.25000 0.12475 1.00000 O34 O 0.10179 0.75000 0.87525 1.00000 O35 O 0.89821 0.75000 0.37525 1.00000 O36 O 0.10179 0.25000 0.62475 1.00000