data_[Mn4Tl4Br14]
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 [10.4333]
_cell_length_b [13.5806]
_cell_length_c [6.4132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2Tl2Br7]
_chemical_formula_sum '[Mn4 Tl4 Br14]'
_cell_volume [898.9827]
_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  0.2291  0.0000  0.9208  1.0
  Tl  Tl1  4  0.0000  0.2993  0.5000  1.0
  Br  Br2  8  0.2442  0.1583  0.7553  1.0
  Br  Br3  4  0.1093  0.5000  0.7646  1.0
  Br  Br4  2  0.0000  0.0000  0.0000  1.0
]