data_[Mn4Tl2In2Br16]
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 [C2/m]
_cell_length_a [11.1577]
_cell_length_b [7.8019]
_cell_length_c [9.8023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2TlInBr8]
_chemical_formula_sum '[Mn4 Tl2 In2 Br16]'
_cell_volume [851.9494]
_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  0.1334  0.5000  0.7857  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0131  0.2445  0.2045  1.0
  Br  Br4  4  0.2042  0.5000  0.5579  1.0
  Br  Br5  4  0.2423  0.0000  0.9919  1.0
]