# CIF generated by HEAS from Alexandria entry agm007908087 data_agm007908087 _cell_length_a 5.50001 _cell_length_b 5.50001 _cell_length_c 5.50001 _cell_angle_alpha 49.11598 _cell_angle_beta 49.11598 _cell_angle_gamma 49.11598 _cell_volume 87.34113 _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 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 Ni1 Ni 0.79776 0.79776 0.79776 1.00000 Ni2 Ni 0.20224 0.20224 0.20224 1.00000 H1 H 0.89534 0.43311 0.43311 1.00000 H2 H 0.10466 0.56689 0.56689 1.00000 H3 H 0.56689 0.10466 0.56689 1.00000 H4 H 0.56689 0.56689 0.10466 1.00000 H5 H 0.43311 0.43311 0.89534 1.00000 H6 H 0.43311 0.89534 0.43311 1.00000 Ir1 Ir 0.50000 0.50000 0.50000 1.00000