# CIF generated by HEAS from Alexandria entry agm004722012
data_agm004722012
_cell_length_a     8.36126
_cell_length_b     8.62100
_cell_length_c     8.36133
_cell_angle_alpha  119.00891
_cell_angle_beta   119.99972
_cell_angle_gamma  90.00000
_cell_volume       432.45191
_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 0.24796 0.73043 0.98250 1.00000
  Th2 Th 0.24795 0.73042 0.49590 1.00000
  Th3 Th 0.26140 0.28418 0.52279 1.00000
  Th4 Th 0.73454 0.73043 0.98250 1.00000
  Th5 Th 0.26546 0.26957 0.01750 1.00000
  Th6 Th 0.73860 0.71582 0.47721 1.00000
  Th7 Th 0.75205 0.26958 0.50410 1.00000
  Th8 Th 0.75204 0.26957 0.01750 1.00000
  As1 As 0.00000 0.50000 0.00000 1.00000
  Ir1 Ir 0.50000 0.50000 0.00000 1.00000
  Ir2 Ir 0.50000 0.50000 0.50000 1.00000
  Ir3 Ir 0.00000 0.50000 0.50000 1.00000
  Se1 Se 0.50000 0.00000 0.00000 1.00000
  Se2 Se 0.50000 0.00000 0.50000 1.00000
  Se3 Se 0.00000 0.00000 0.00000 1.00000
  Se4 Se 0.00000 0.00000 0.50000 1.00000