# CIF generated by HEAS from Alexandria entry agm005808541
data_agm005808541
_cell_length_a     4.49001
_cell_length_b     4.49001
_cell_length_c     4.73775
_cell_angle_alpha  61.71514
_cell_angle_beta   61.71514
_cell_angle_gamma  59.99998
_cell_volume       69.23667
_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
  Th1 Th 0.50000 0.50000 0.50000 1.00000
  H1 H 0.89290 0.89290 0.76884 1.00000
  H2 H 0.44536 0.89290 0.76884 1.00000
  H3 H 0.10710 0.55464 0.23116 1.00000
  H4 H 0.55464 0.10710 0.23116 1.00000
  H5 H 0.10710 0.10710 0.23116 1.00000
  H6 H 0.89290 0.44536 0.76884 1.00000
  Ir1 Ir 0.00000 0.00000 0.00000 1.00000