data_[Be8Tl16Ge8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9155]
_cell_length_b [13.4214]
_cell_length_c [23.6939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [BeTl2GeSe4]
_chemical_formula_sum '[Be8 Tl16 Ge8 Se32]'
_cell_volume [1881.1532]
_cell_formula_units_Z [8]
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
[
  Be  Be0  8  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  16  0.0000  0.0000  0.1904  1.0
  Ge  Ge2  8  0.0000  0.0000  0.5000  1.0
  Se  Se3  32  0.0130  0.1526  0.3023  1.0
]