data_[Cd2In2Ga2Te4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.5887]
_cell_length_b [11.6284]
_cell_length_c [6.1788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.5685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdInGa(TeSe)2]
_chemical_formula_sum '[Cd2 In2 Ga2 Te4 Se4]'
_cell_volume [447.1163]
_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  2  0.0000  0.7446  0.0000  1
  In  In1  2  0.0000  0.2449  0.0000  1
  Ga  Ga2  2  0.0000  0.0076  0.5000  1
  Te  Te3  4  0.2291  0.3949  0.4969  1
  Se  Se4  4  0.2407  0.1065  0.9892  1
]