data_[Zn2Cu4Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  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 [7.8339]
_cell_length_b [6.8440]
_cell_length_c [6.5111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [ZnCu2SiSe4]
_chemical_formula_sum '[Zn2 Cu4 Si2 Se8]'
_cell_volume [349.0924]
_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
[
  Zn  Zn0  2  0.0000  0.6506  0.1566  1.0
  Cu  Cu1  4  0.2472  0.8259  0.6632  1.0
  Si  Si2  2  0.0000  0.3297  0.6552  1.0
  Se  Se3  4  0.2402  0.1624  0.5351  1.0
  Se  Se4  2  0.0000  0.3173  0.0132  1.0
  Se  Se5  2  0.0000  0.6499  0.5395  1.0
]