data_[Cd4Ga2Ag2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.6597]
_cell_length_b [4.2604]
_cell_length_c [7.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.2364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cd2GaAgSe4]
_chemical_formula_sum '[Cd4 Ga2 Ag2 Se8]'
_cell_volume [448.1495]
_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  0.0082  0.0000  0.3626  1.0
  Cd  Cd1  2  0.4883  0.0000  0.8148  1.0
  Ga  Ga2  2  0.2487  0.5000  0.3931  1.0
  Ag  Ag3  2  0.2553  0.0000  0.9306  1.0
  Se  Se4  2  0.0664  0.0000  0.7470  1.0
  Se  Se5  2  0.0714  0.5000  0.2297  1.0
  Se  Se6  2  0.2951  0.0000  0.6109  1.0
  Se  Se7  2  0.3178  0.5000  0.1613  1.0
]