data_[Li4Cd2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2320]
_cell_length_b [7.2555]
_cell_length_c [6.8230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2CdGeSe4]
_chemical_formula_sum '[Li4 Cd2 Ge2 Se8]'
_cell_volume [407.5173]
_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  0.2457  0.6747  0.0030  1.0
  Cd  Cd1  2  0.0000  0.8514  0.4957  1.0
  Ge  Ge2  2  0.0000  0.1730  0.9994  1.0
  Se  Se3  4  0.2320  0.3376  0.8784  1.0
  Se  Se4  2  0.0000  0.1926  0.3502  1.0
  Se  Se5  2  0.0000  0.8602  0.8917  1.0
]