# CIF generated by HEAS from Alexandria entry agm004053967
data_agm004053967
_cell_length_a     3.81797
_cell_length_b     2.97946
_cell_length_c     8.01353
_cell_angle_alpha  68.20739
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       84.64315
_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 0.00000 0.53986 0.45960 1.00000
  Ir1 Ir 0.00000 0.94169 0.05838 1.00000
  Ir2 Ir 0.50000 0.31167 0.18819 1.00000
  Ca1 Ca 0.50000 0.70679 0.79383 1.00000