# CIF generated by HEAS from Alexandria entry agm004860331
data_agm004860331
_cell_length_a     4.06999
_cell_length_b     7.55158
_cell_length_c     7.04845
_cell_angle_alpha  71.80126
_cell_angle_beta   89.99973
_cell_angle_gamma  89.99968
_cell_volume       205.79695
_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 0.00000 0.72372 0.75391 1.00000
  Th2 Th 1.00000 0.27628 0.24608 1.00000
  Th3 Th 0.50000 0.72780 0.26190 1.00000
  Th4 Th 0.50000 0.27220 0.73810 1.00000
  Tc1 Tc 0.00000 0.49999 0.50000 1.00000
  Ir1 Ir 0.50000 0.50000 1.00000 1.00000
  S1 S 0.00000 0.00000 1.00000 1.00000
  S2 S 0.50000 0.00000 0.50000 1.00000