data_[Na4Ge2Bi2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [9.6389]
_cell_length_b [7.6507]
_cell_length_c [7.1118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2GeBiSe4]
_chemical_formula_sum '[Na4 Ge2 Bi2 Se8]'
_cell_volume [524.4512]
_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  0.2484  0.3227  0.4892  1
  Ge  Ge1  2  0.0000  0.1667  0.9946  1
  Bi  Bi2  2  0.0000  0.8227  0.4903  1
  Se  Se3  4  0.2243  0.3035  0.8986  1
  Se  Se4  2  0.0000  0.1544  0.3456  1
  Se  Se5  2  0.0000  0.8586  0.8938  1
]