# CIF generated by HEAS from Alexandria entry agm006199741 data_agm006199741 _cell_length_a 4.79047 _cell_length_b 4.83872 _cell_length_c 4.83879 _cell_angle_alpha 59.99577 _cell_angle_beta 59.77808 _cell_angle_gamma 59.66472 _cell_volume 78.97216 _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 0.04167 0.65269 0.65291 1.00000 Ni2 Ni 0.95833 0.34731 0.34709 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 H1 H 0.50000 0.50000 0.50000 1.00000 H2 H 0.23133 0.44322 0.37695 1.00000 H3 H 0.76872 0.05153 0.55571 1.00000 H4 H 0.23128 0.94847 0.44429 1.00000 H5 H 0.76828 0.62396 0.05075 1.00000 H6 H 0.23172 0.37604 0.94925 1.00000 H7 H 0.76867 0.55678 0.62305 1.00000