# CIF generated by HEAS from Alexandria entry agm006571301 data_agm006571301 _cell_length_a 6.09775 _cell_length_b 6.09775 _cell_length_c 6.09775 _cell_angle_alpha 61.71608 _cell_angle_beta 61.71608 _cell_angle_gamma 61.71608 _cell_volume 166.48900 _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 Ba1 Ba 0.38012 0.38012 0.38012 1.00000 Ba2 Ba 0.61988 0.61988 0.61988 1.00000 Fe1 Fe 0.50000 0.00000 0.00000 1.00000 Fe2 Fe 0.00000 0.00000 0.50000 1.00000 Fe3 Fe 0.00000 0.50000 0.00000 1.00000 Mo1 Mo 0.00000 0.00000 0.00000 1.00000 H1 H 0.68065 0.08383 0.68065 1.00000 H2 H 0.09623 0.63932 0.09623 1.00000 H3 H 0.63932 0.09623 0.09623 1.00000 H4 H 0.08383 0.68065 0.68065 1.00000 H5 H 0.09623 0.09623 0.63932 1.00000 H6 H 0.68065 0.68065 0.08383 1.00000 H7 H 0.31935 0.91617 0.31935 1.00000 H8 H 0.90377 0.36068 0.90377 1.00000 H9 H 0.36068 0.90377 0.90377 1.00000 H10 H 0.91617 0.31935 0.31935 1.00000 H11 H 0.90377 0.90377 0.36068 1.00000 H12 H 0.31935 0.31935 0.91617 1.00000