data_[Mn1Ga1Br6]
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 [6.4876]
_cell_length_b [6.5605]
_cell_length_c [6.8500]
_cell_angle_alpha [66.3671]
_cell_angle_beta [62.9990]
_cell_angle_gamma [63.8889]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnGaBr6]
_chemical_formula_sum '[Mn1 Ga1 Br6]'
_cell_volume [225.7733]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1
  Ga  Ga1  1  0.0000  0.0000  0.0000  1
  Br  Br2  2  0.1202  0.4084  0.7362  1
  Br  Br3  2  0.2273  0.9225  0.2312  1
  Br  Br4  2  0.4163  0.7413  0.7420  1
]