data_[Mn4Ga8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.9734]
_cell_length_b [12.1439]
_cell_length_c [6.9450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5935]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mn(GaBr3)2]
_chemical_formula_sum '[Mn4 Ga8 Br24]'
_cell_volume [1170.7218]
_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  0.0885  0.2500  1
  Ga  Ga1  8  0.2045  0.4014  0.2769  1
  Br  Br2  8  0.1035  0.0727  0.6002  1
  Br  Br3  8  0.1145  0.2333  0.1211  1
  Br  Br4  8  0.1317  0.4214  0.6005  1
]