# CIF generated by HEAS from Alexandria entry agm004635996
data_agm004635996
_cell_length_a     8.31254
_cell_length_b     8.31254
_cell_length_c     8.79130
_cell_angle_alpha  99.08217
_cell_angle_beta   99.08217
_cell_angle_gamma  119.95350
_cell_volume       499.44686
_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
  Ba1 Ba 0.93216 0.61632 0.79677 1.00000
  Ba2 Ba 0.75127 0.75127 0.20618 1.00000
  Ba3 Ba 0.06784 0.38368 0.20323 1.00000
  Ba4 Ba 0.61632 0.93216 0.79677 1.00000
  Ba5 Ba 0.24873 0.24873 0.79382 1.00000
  Ba6 Ba 0.38368 0.06784 0.20323 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
  Se1 Se 0.33361 0.66639 0.00000 1.00000
  Se2 Se 0.66639 0.33361 0.00000 1.00000
  I1 I 0.17299 0.82701 0.50000 1.00000
  I2 I 0.82701 0.17299 0.50000 1.00000
  I3 I 0.50000 0.50000 0.50000 1.00000