data_[Mn2Ga2Br6]
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 [P-1]
_cell_length_a [7.1659]
_cell_length_b [7.5418]
_cell_length_c [7.6265]
_cell_angle_alpha [111.0375]
_cell_angle_beta [93.3113]
_cell_angle_gamma [113.6328]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnGaBr3]
_chemical_formula_sum '[Mn2 Ga2 Br6]'
_cell_volume [342.4852]
_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  0.2902  0.1013  0.0412  1
  Ga  Ga1  2  0.1839  0.4090  0.5370  1
  Br  Br2  2  0.0174  0.9146  0.1987  1
  Br  Br3  2  0.3922  0.8977  0.7451  1
  Br  Br4  2  0.4181  0.5003  0.2490  1
]