data_[Cd2Cu4Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.1018]
_cell_length_b [6.8861]
_cell_length_c [6.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CdCu2SiSe4]
_chemical_formula_sum '[Cd2 Cu4 Si2 Se8]'
_cell_volume [370.1133]
_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  0.6506  0.1252  1
  Cu  Cu1  4  0.2479  0.8240  0.6304  1
  Si  Si2  2  0.0000  0.3219  0.6232  1
  Se  Se3  4  0.2276  0.1564  0.4957  1
  Se  Se4  2  0.0000  0.2916  0.9736  1
  Se  Se5  2  0.0000  0.6480  0.5309  1
]