data_[Cd3As1I3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.5864]
_cell_length_b [4.6296]
_cell_length_c [7.9762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3657]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3AsI3]
_chemical_formula_sum '[Cd3 As1 I3]'
_cell_volume [280.1326]
_cell_formula_units_Z [1]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cd  Cd0  1  0.0372  0.0000  0.6934  1.0
  Cd  Cd1  1  0.0769  0.5000  0.1165  1.0
  Cd  Cd2  1  0.6015  0.5000  0.8594  1.0
  As  As3  1  0.9419  0.5000  0.8159  1.0
  I  I4  1  0.4388  0.0000  0.6751  1.0
  I  I5  1  0.4471  0.5000  0.1847  1.0
  I  I6  1  0.9486  0.0000  0.3217  1.0
]