# CIF generated by HEAS from Alexandria entry agm005254012
data_agm005254012
_cell_length_a     4.00368
_cell_length_b     6.30785
_cell_length_c     6.80559
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       171.87251
_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 0.00000 0.16078 0.74265 1.00000
  Ba2 Ba 0.00000 0.83922 0.24265 1.00000
  H1 H 0.20397 0.63442 0.80254 1.00000
  H2 H 0.79603 0.63442 0.80254 1.00000
  H3 H 0.79603 0.36558 0.30254 1.00000
  H4 H 0.20397 0.36558 0.30254 1.00000
  O1 O 0.00000 0.72368 0.83913 1.00000
  O2 O 0.00000 0.27632 0.33913 1.00000
  O3 O 0.50000 0.46792 0.75343 1.00000
  O4 O 0.50000 0.53208 0.25343 1.00000
  O5 O 0.50000 0.95396 0.51679 1.00000
  O6 O 0.50000 0.04604 0.01679 1.00000