data_[Mn2Tl2In2Br8]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.5705]
_cell_length_b [7.6614]
_cell_length_c [9.1929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3092]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlInBr4]
_chemical_formula_sum '[Mn2 Tl2 In2 Br8]'
_cell_volume [506.1986]
_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  0.2305  0.7500  0.2979  1.0
  Tl  Tl1  2  0.2198  0.2500  0.5525  1.0
  In  In2  2  0.2537  0.2500  0.0638  1.0
  Br  Br3  4  0.0058  0.0019  0.2327  1.0
  Br  Br4  2  0.4126  0.7500  0.5755  1.0
  Br  Br5  2  0.4285  0.7500  0.1273  1.0
]