data_[Mn4Sn4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3196]
_cell_length_b [17.3543]
_cell_length_c [7.0007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnSnBr4]
_chemical_formula_sum '[Mn4 Sn4 Br16]'
_cell_volume [833.5754]
_cell_formula_units_Z [4]
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  0.0000  0.0717  0.2500  1.0
  Sn  Sn1  4  0.0000  0.4201  0.7500  1.0
  Br  Br2  8  0.2150  0.0493  0.7280  1.0
  Br  Br3  8  0.2334  0.1746  0.2675  1.0
]