# CIF generated by HEAS from Alexandria entry agm005403539 data_agm005403539 _cell_length_a 5.66600 _cell_length_b 5.66600 _cell_length_c 5.66600 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 181.89845 _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 Ni1 Ni 0.50000 0.50000 0.50000 1.00000 Ni2 Ni 0.00000 0.00000 0.00000 1.00000 Zr1 Zr 0.00000 0.25000 0.50000 1.00000 Zr2 Zr 0.00000 0.75000 0.50000 1.00000 Zr3 Zr 0.50000 0.00000 0.75000 1.00000 Zr4 Zr 0.75000 0.50000 0.00000 1.00000 Zr5 Zr 0.50000 0.00000 0.25000 1.00000 Zr6 Zr 0.25000 0.50000 0.00000 1.00000 H1 H 0.25000 0.00000 0.50000 1.00000 H2 H 0.00000 0.50000 0.25000 1.00000 H3 H 0.50000 0.75000 0.00000 1.00000 H4 H 0.75000 0.00000 0.50000 1.00000 H5 H 0.00000 0.50000 0.75000 1.00000 H6 H 0.50000 0.25000 0.00000 1.00000