data_[Mn2In4Sn2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.5072]
_cell_length_b [8.0001]
_cell_length_c [13.2574]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnIn2SnBr6]
_chemical_formula_sum '[Mn2 In4 Sn2 Br12]'
_cell_volume [658.1666]
_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  0.5000  1.0
  In  In1  4  0.2780  0.0824  0.2501  1.0
  Sn  Sn2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1355  0.0214  0.7360  1.0
  Br  Br4  4  0.2264  0.7118  0.5493  1.0
  Br  Br5  4  0.3417  0.1815  0.5459  1.0
]