data_[Cd2Se2I2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.4028]
_cell_length_b [7.4308]
_cell_length_c [7.9875]
_cell_angle_alpha [64.2686]
_cell_angle_beta [83.2080]
_cell_angle_gamma [87.9089]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CdSeI]
_chemical_formula_sum '[Cd2 Se2 I2]'
_cell_volume [233.7254]
_cell_formula_units_Z [2]
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  0.0218  0.2162  0.6548  1
  Cd  Cd1  1  0.4665  0.7456  0.7148  1
  Se  Se2  1  0.5150  0.4265  0.6428  1
  Se  Se3  1  0.9175  0.8168  0.8750  1
  I  I4  1  0.2893  0.0765  0.3834  1
  I  I5  1  0.7119  0.6348  0.2483  1
]