# CIF generated by HEAS from Alexandria entry agm017240132 data_agm017240132 _cell_length_a 12.84251 _cell_length_b 12.84251 _cell_length_c 3.95179 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 120.00000 _cell_volume 564.44953 _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 0.81546 0.00000 0.00000 1.00000 Ca2 Ca 0.00000 0.81546 0.00000 1.00000 Ca3 Ca 0.18454 0.18454 0.00000 1.00000 Ca4 Ca 0.33333 0.66667 0.50000 1.00000 Ca5 Ca 0.66667 0.33333 0.50000 1.00000 Zr1 Zr 0.43490 0.00000 0.50000 1.00000 Zr2 Zr 0.00000 0.43490 0.50000 1.00000 Zr3 Zr 0.56510 0.56510 0.50000 1.00000 Ni1 Ni 0.27659 0.00000 0.00000 1.00000 Ni2 Ni 0.00000 0.27659 0.00000 1.00000 Ni3 Ni 0.72341 0.72341 0.00000 1.00000 Ni4 Ni 0.62158 0.80677 0.50000 1.00000 Ni5 Ni 0.19323 0.81480 0.50000 1.00000 Ni6 Ni 0.18520 0.37842 0.50000 1.00000 Ni7 Ni 0.37842 0.18520 0.50000 1.00000 Ni8 Ni 0.80677 0.62158 0.50000 1.00000 Ni9 Ni 0.81480 0.19323 0.50000 1.00000 Ni10 Ni 0.51639 0.87941 0.00000 1.00000 Ni11 Ni 0.12059 0.63697 0.00000 1.00000 Ni12 Ni 0.36303 0.48361 0.00000 1.00000 Ni13 Ni 0.48361 0.36303 0.00000 1.00000 Ni14 Ni 0.87941 0.51639 0.00000 1.00000 Ni15 Ni 0.63697 0.12059 0.00000 1.00000 Ni16 Ni 0.00000 0.00000 0.50000 1.00000 As1 As 0.17896 0.00000 0.50000 1.00000 As2 As 0.00000 0.17896 0.50000 1.00000 As3 As 0.82104 0.82104 0.50000 1.00000 As4 As 0.52278 0.69473 0.00000 1.00000 As5 As 0.30527 0.82805 0.00000 1.00000 As6 As 0.17195 0.47722 0.00000 1.00000 As7 As 0.47722 0.17195 0.00000 1.00000 As8 As 0.69473 0.52278 0.00000 1.00000 As9 As 0.82805 0.30527 0.00000 1.00000 As10 As 0.64298 0.00000 0.50000 1.00000 As11 As 0.00000 0.64298 0.50000 1.00000 As12 As 0.35702 0.35702 0.50000 1.00000