data_[Mn6Tl4Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.0887]
_cell_length_b [8.0212]
_cell_length_c [6.9602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn3(TlBr4)2]
_chemical_formula_sum '[Mn6 Tl4 Br16]'
_cell_volume [858.2712]
_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  4  0.0000  0.2592  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.2359  0.5000  0.6670  1
  Br  Br3  8  0.0952  0.2329  0.3887  1
  Br  Br4  4  0.0968  0.0000  0.8968  1
  Br  Br5  4  0.1046  0.5000  0.9484  1
]