data_[Mn8Tl16Ge8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  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 [6.2100]
_cell_length_b [13.3094]
_cell_length_c [25.1367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [MnTl2GeSe4]
_chemical_formula_sum '[Mn8 Tl16 Ge8 Se32]'
_cell_volume [2077.5922]
_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
[
  Mn  Mn0  8  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  16  0.0000  0.0000  0.1973  1.0
  Ge  Ge2  8  0.0000  0.0000  0.5000  1.0
  Se  Se3  32  0.0194  0.1449  0.6976  1.0
]