data_[Li4Zn2Sn2Se8]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [6.7631]
_cell_length_b [7.1084]
_cell_length_c [10.7783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.9418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Li2ZnSnSe4]
_chemical_formula_sum '[Li4 Zn2 Sn2 Se8]'
_cell_volume [403.0189]
_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  2  0.0382  0.3392  0.4275  1
  Li  Li1  2  0.2947  0.1651  0.1826  1
  Zn  Zn2  2  0.7920  0.1744  0.6784  1
  Sn  Sn3  2  0.5441  0.3284  0.9301  1
  Se  Se4  2  0.1585  0.1702  0.6773  1
  Se  Se5  2  0.4235  0.3310  0.4340  1
  Se  Se6  2  0.6704  0.1559  0.1800  1
  Se  Se7  2  0.9214  0.3204  0.9273  1
]