# CIF generated by HEAS from Alexandria entry agm006571331 data_agm006571331 _cell_length_a 6.12012 _cell_length_b 6.12012 _cell_length_c 6.12012 _cell_angle_alpha 61.70587 _cell_angle_beta 61.70587 _cell_angle_gamma 61.70587 _cell_volume 168.29082 _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 0.38209 0.38209 0.38209 1.00000 Ba2 Ba 0.61791 0.61791 0.61791 1.00000 Ni1 Ni 0.50000 0.00000 0.00000 1.00000 Ni2 Ni 0.00000 0.00000 0.50000 1.00000 Ni3 Ni 0.00000 0.50000 0.00000 1.00000 Mo1 Mo 0.00000 0.00000 0.00000 1.00000 H1 H 0.69688 0.08089 0.69688 1.00000 H2 H 0.09686 0.63670 0.09686 1.00000 H3 H 0.63670 0.09686 0.09686 1.00000 H4 H 0.08089 0.69688 0.69688 1.00000 H5 H 0.09686 0.09686 0.63670 1.00000 H6 H 0.69688 0.69688 0.08089 1.00000 H7 H 0.30312 0.91911 0.30312 1.00000 H8 H 0.90314 0.36330 0.90314 1.00000 H9 H 0.36330 0.90314 0.90314 1.00000 H10 H 0.91911 0.30312 0.30312 1.00000 H11 H 0.90314 0.90314 0.36330 1.00000 H12 H 0.30312 0.30312 0.91911 1.00000