# CIF generated by HEAS from Alexandria entry agm002199374 data_agm002199374 _cell_length_a 3.51891 _cell_length_b 3.51891 _cell_length_c 5.61870 _cell_angle_alpha 108.24872 _cell_angle_beta 108.24872 _cell_angle_gamma 90.00000 _cell_volume 62.38033 _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 0.25000 0.75000 0.50000 1.00000 Ni2 Ni 0.75000 0.25000 0.50000 1.00000 Ca1 Ca 0.00000 0.00000 0.00000 1.00000 B1 B 0.65153 0.65153 0.30307 1.00000 B2 B 0.34847 0.34847 0.69693 1.00000