data_[Mn2Tl10Br4Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.0074]
_cell_length_b [10.5247]
_cell_length_c [8.0117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MnTl5(BrCl2)2]
_chemical_formula_sum '[Mn2 Tl10 Br4 Cl8]'
_cell_volume [843.8327]
_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  0.0000  0.0000  0.4010  1
  Tl  Tl1  8  0.2454  0.1810  0.9176  1
  Tl  Tl2  2  0.5000  0.0000  0.4049  1
  Br  Br3  4  0.5000  0.2396  0.6676  1
  Cl  Cl4  4  0.0000  0.1811  0.2259  1
  Cl  Cl5  4  0.1920  0.0000  0.5713  1
]