# CIF generated by HEAS from Alexandria entry agm044398581
data_agm044398581
_cell_length_a     5.75362
_cell_length_b     5.75362
_cell_length_c     5.74803
_cell_angle_alpha  72.98746
_cell_angle_beta   72.98746
_cell_angle_gamma  105.83929
_cell_volume       160.06120
_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
  Ti1 Ti 0.00000 0.00000 0.50000 1.00000
  Nb1 Nb 0.82989 0.17011 0.00000 1.00000
  Nb2 Nb 0.17011 0.82989 0.00000 1.00000
  Nb3 Nb 0.50000 0.50000 0.00000 1.00000
  Hg1 Hg 0.65504 0.34496 0.50000 1.00000
  Hg2 Hg 0.34496 0.65504 0.50000 1.00000
  N1 N 0.59023 0.90055 0.83704 1.00000
  N2 N 0.87876 0.87876 0.25903 1.00000
  N3 N 0.40977 0.09945 0.16296 1.00000
  N4 N 0.90055 0.59023 0.83704 1.00000
  N5 N 0.12124 0.12124 0.74097 1.00000
  N6 N 0.09945 0.40977 0.16296 1.00000