data_[Mn1Tl1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8084]
_cell_length_b [7.6910]
_cell_length_c [8.9345]
_cell_angle_alpha [78.2939]
_cell_angle_beta [74.1322]
_cell_angle_gamma [86.1093]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnTl(SnBr4)2]
_chemical_formula_sum '[Mn1 Tl1 Sn2 Br8]'
_cell_volume [440.6112]
_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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn2  2  0.4548  0.3764  0.7523  1.0
  Br  Br3  2  0.1692  0.1919  0.1117  1.0
  Br  Br4  2  0.1884  0.7351  0.1017  1.0
  Br  Br5  2  0.2357  0.5976  0.5336  1.0
  Br  Br6  2  0.3346  0.0661  0.7101  1.0
]