data_[Mn2Tl2Ge2Se6]
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 [P2_1/m]
_cell_length_a [8.3755]
_cell_length_b [3.8177]
_cell_length_c [10.1585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0934]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlGeSe3]
_chemical_formula_sum '[Mn2 Tl2 Ge2 Se6]'
_cell_volume [310.4743]
_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
[
  Mn  Mn0  2  0.3634  0.7500  0.8471  1.0
  Tl  Tl1  2  0.2178  0.2500  0.2596  1.0
  Ge  Ge2  2  0.1331  0.2500  0.5602  1.0
  Se  Se3  2  0.1354  0.2500  0.8049  1.0
  Se  Se4  2  0.3506  0.7500  0.5922  1.0
  Se  Se5  2  0.4117  0.7500  0.1030  1.0
]