data_[Mn2Tl1Ge1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.8994]
_cell_length_b [6.8994]
_cell_length_c [9.5551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Mn2TlGeBr8]
_chemical_formula_sum '[Mn2 Tl1 Ge1 Br8]'
_cell_volume [393.9013]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.7399  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Ge  Ge2  1  0.0000  0.0000  0.5000  1
  Br  Br3  6  0.0058  0.6875  0.3277  1
  Br  Br4  2  0.3333  0.6667  0.9908  1
]