data_[Na4Sn2Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.5168]
_cell_length_b [9.9947]
_cell_length_c [6.6748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na2SnGeSe4]
_chemical_formula_sum '[Na4 Sn2 Ge2 Se8]'
_cell_volume [497.6628]
_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
[
  Na  Na0  4  0.0028  0.2409  0.5164  1.0
  Sn  Sn1  2  0.0873  0.0000  0.0771  1.0
  Ge  Ge2  2  0.4852  0.0000  0.9692  1.0
  Se  Se3  4  0.1488  0.3033  0.0328  1.0
  Se  Se4  2  0.1821  0.0000  0.5631  1.0
  Se  Se5  2  0.4422  0.0000  0.2921  1.0
]