data_[Mn4In6Br16]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0505]
_cell_length_b [7.8507]
_cell_length_c [9.3883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn2In3Br8]
_chemical_formula_sum '[Mn4 In6 Br16]'
_cell_volume [946.4582]
_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  0.1264  0.5000  0.8048  1
  In  In1  4  0.1555  0.0000  0.6065  1
  In  In2  2  0.0000  0.0000  0.0000  1
  Br  Br3  8  0.0211  0.2381  0.7152  1
  Br  Br4  4  0.1693  0.5000  0.0850  1
  Br  Br5  4  0.2425  0.0000  0.3037  1
]