# CIF generated by HEAS from Alexandria entry agm007666451
data_agm007666451
_cell_length_a     6.44927
_cell_length_b     6.44927
_cell_length_c     6.44927
_cell_angle_alpha  42.71579
_cell_angle_beta   42.71579
_cell_angle_gamma  42.71579
_cell_volume       111.82120
_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 0.00000 0.00000 1.00000
  Nb1 Nb 0.50000 0.50000 0.50000 1.00000
  Cu1 Cu 0.20323 0.20323 0.20323 1.00000
  Cu2 Cu 0.79677 0.79677 0.79677 1.00000
  H1 H 0.88849 0.43241 0.43241 1.00000
  H2 H 0.43241 0.43241 0.88849 1.00000
  H3 H 0.56759 0.11151 0.56759 1.00000
  H4 H 0.11151 0.56759 0.56759 1.00000
  H5 H 0.56759 0.56759 0.11151 1.00000
  H6 H 0.43241 0.88849 0.43241 1.00000