data_[Mn8Ag8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.7648]
_cell_length_b [12.8381]
_cell_length_c [7.1322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnAgBr3]
_chemical_formula_sum '[Mn8 Ag8 Br24]'
_cell_volume [1217.6794]
_cell_formula_units_Z [8]
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  8  0.1969  0.4131  0.7901  1.0
  Ag  Ag1  4  0.0000  0.1000  0.7500  1.0
  Ag  Ag2  4  0.0000  0.2650  0.2500  1.0
  Br  Br3  8  0.1157  0.0846  0.1311  1.0
  Br  Br4  8  0.1242  0.2531  0.6120  1.0
  Br  Br5  8  0.1336  0.4228  0.0965  1.0
]