data_[Li4Zn2Si2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  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 [7.8177]
_cell_length_b [7.2104]
_cell_length_c [6.6079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2ZnSiSe4]
_chemical_formula_sum '[Li4 Zn2 Si2 Se8]'
_cell_volume [372.4814]
_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
[
  Li  Li0  4  0.2459  0.6711  0.0018  1.0
  Zn  Zn1  2  0.0000  0.8562  0.4968  1.0
  Si  Si2  2  0.0000  0.1645  0.9990  1.0
  Se  Se3  4  0.2382  0.3261  0.8890  1.0
  Se  Se4  2  0.0000  0.1686  0.3473  1.0
  Se  Se5  2  0.0000  0.8681  0.8752  1.0
]