# CIF generated by HEAS from Alexandria entry agm002175603 data_agm002175603 _cell_length_a 4.15628 _cell_length_b 4.15628 _cell_length_c 11.30877 _cell_angle_alpha 100.59516 _cell_angle_beta 100.59517 _cell_angle_gamma 89.96724 _cell_volume 188.63859 _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 Nb1 Nb 0.40454 0.40454 0.80908 1.00000 Nb2 Nb 0.59546 0.59546 0.19092 1.00000 Ba1 Ba 0.00000 0.00000 0.00000 1.00000 Ba2 Ba 0.18500 0.18500 0.37000 1.00000 Ba3 Ba 0.81500 0.81500 0.63000 1.00000 O1 O 0.90479 0.40479 0.80958 1.00000 O2 O 0.50000 0.50000 0.00000 1.00000 O3 O 0.30904 0.30904 0.61807 1.00000 O4 O 0.59521 0.09521 0.19042 1.00000 O5 O 0.40479 0.90479 0.80958 1.00000 O6 O 0.69096 0.69096 0.38193 1.00000 O7 O 0.09521 0.59521 0.19042 1.00000