data_[Cd2Ga2Ag4Se8]
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 [Pmn2_1]
_cell_length_a [8.1587]
_cell_length_b [7.4825]
_cell_length_c [7.1037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CdGa(AgSe2)2]
_chemical_formula_sum '[Cd2 Ga2 Ag4 Se8]'
_cell_volume [433.6629]
_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  0.3500  0.5083  1.0
  Ga  Ga1  2  0.0000  0.6695  0.9974  1.0
  Ag  Ag2  4  0.2478  0.8266  0.5166  1.0
  Se  Se3  4  0.2390  0.8352  0.8887  1.0
  Se  Se4  2  0.0000  0.3579  0.8890  1.0
  Se  Se5  2  0.0000  0.6740  0.3474  1.0
]