# CIF generated by HEAS from Alexandria entry agm004580962
data_agm004580962
_cell_length_a     5.80222
_cell_length_b     5.80222
_cell_length_c     6.36413
_cell_angle_alpha  97.39225
_cell_angle_beta   97.39225
_cell_angle_gamma  119.15176
_cell_volume       180.97406
_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
  Tl1 Tl 0.83223 0.16777 0.00000 1.00000
  Tl2 Tl 0.16777 0.83223 0.00000 1.00000
  Cd1 Cd 0.33854 0.66146 0.50000 1.00000
  Cd2 Cd 0.66146 0.33854 0.50000 1.00000
  Ir1 Ir 0.00000 0.00000 0.50000 1.00000
  O1 O 0.78354 0.78354 0.69522 1.00000
  O2 O 0.04754 0.33314 0.67151 1.00000
  O3 O 0.21646 0.21646 0.30478 1.00000
  O4 O 0.33314 0.04754 0.67151 1.00000
  O5 O 0.95246 0.66686 0.32849 1.00000
  O6 O 0.66686 0.95246 0.32849 1.00000