data_[Mn8Tl16Ge8S32]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.9806]
_cell_length_b [12.9062]
_cell_length_c [23.8832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [MnTl2GeS4]
_chemical_formula_sum '[Mn8 Tl16 Ge8 S32]'
_cell_volume [1843.4785]
_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  0.1915  1.0
  Ge  Ge2  8  0.0000  0.0000  0.5000  1.0
  S  S3  32  0.0217  0.1478  0.6997  1.0
]