data_[Cd4In8Ag4Se16]
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
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.7872]
_cell_length_b [9.1383]
_cell_length_c [12.2013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CdIn2AgSe4]
_chemical_formula_sum '[Cd4 In8 Ag4 Se16]'
_cell_volume [979.7728]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.9983  1.0
  In  In1  8  0.2500  0.2500  0.2467  1.0
  Ag  Ag2  4  0.0000  0.0000  0.4966  1.0
  Se  Se3  8  0.0000  0.2499  0.3787  1.0
  Se  Se4  8  0.2487  0.0000  0.6270  1.0
]