# CIF generated by HEAS from Alexandria entry agm006366608 data_agm006366608 _cell_length_a 6.54715 _cell_length_b 6.54715 _cell_length_c 6.54715 _cell_angle_alpha 60.00000 _cell_angle_beta 60.00000 _cell_angle_gamma 60.00000 _cell_volume 198.44576 _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 0.25000 0.25000 0.25000 1.00000 Ca2 Ca 0.75000 0.75000 0.75000 1.00000 Ca3 Ca 0.00000 0.00000 0.00000 1.00000 Ni1 Ni 0.28665 0.71335 0.71335 1.00000 Ni2 Ni 0.71335 0.28665 0.28665 1.00000 Ni3 Ni 0.28665 0.71335 0.28665 1.00000 Ni4 Ni 0.28665 0.28665 0.71335 1.00000 Ni5 Ni 0.71335 0.71335 0.28665 1.00000 Ni6 Ni 0.71335 0.28665 0.71335 1.00000 H1 H 0.18016 0.60661 0.60661 1.00000 H2 H 0.39339 0.81984 0.39339 1.00000 H3 H 0.00000 0.32819 0.67181 1.00000 H4 H 0.00000 0.32819 0.00000 1.00000 H5 H 0.32819 0.00000 0.67181 1.00000 H6 H 0.60661 0.60661 0.60661 1.00000 H7 H 0.32819 0.00000 0.00000 1.00000 H8 H 0.67181 0.32819 0.00000 1.00000 H9 H 0.00000 0.00000 0.67181 1.00000 H10 H 0.67181 0.00000 0.32819 1.00000 H11 H 0.32819 0.67181 0.00000 1.00000 H12 H 0.00000 0.00000 0.32819 1.00000 H13 H 0.00000 0.67181 0.00000 1.00000 H14 H 0.00000 0.67181 0.32819 1.00000 H15 H 0.60661 0.60661 0.18016 1.00000 H16 H 0.81984 0.39339 0.39339 1.00000 H17 H 0.39339 0.39339 0.81984 1.00000 H18 H 0.39339 0.39339 0.39339 1.00000 H19 H 0.60661 0.18016 0.60661 1.00000 H20 H 0.67181 0.00000 0.00000 1.00000