# CIF generated by HEAS from Alexandria entry agm068675945
data_agm068675945
_cell_length_a     5.13874
_cell_length_b     5.13874
_cell_length_c     5.08988
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  120.00000
_cell_volume       116.39952
_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 0.33333 0.66667 0.00000 1.00000
  Ni1 Ni 0.66667 0.33333 0.50000 1.00000
  I1 I 0.00000 0.00000 0.50000 1.00000
  O1 O 0.71211 0.03061 0.28713 1.00000
  O2 O 0.71211 0.68150 0.71287 1.00000
  O3 O 0.31850 0.03061 0.71287 1.00000
  O4 O 0.96939 0.28789 0.71287 1.00000
  O5 O 0.31850 0.28789 0.28713 1.00000
  O6 O 0.96939 0.68150 0.28713 1.00000