data_[Mn2Tl2In2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9745]
_cell_length_b [8.2660]
_cell_length_c [9.5565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7668]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlInI4]
_chemical_formula_sum '[Mn2 Tl2 In2 I8]'
_cell_volume [599.8909]
_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  0.2304  0.7500  0.3017  1.0
  Tl  Tl1  2  0.2277  0.2500  0.5557  1.0
  In  In2  2  0.2369  0.2500  0.0605  1.0
  I  I3  4  0.0013  0.0023  0.2372  1.0
  I  I4  2  0.4181  0.7500  0.5876  1.0
  I  I5  2  0.4279  0.7500  0.1192  1.0
]