data_[Mg2Ga2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9409]
_cell_length_b [4.5205]
_cell_length_c [10.5465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgGaBr3]
_chemical_formula_sum '[Mg2 Ga2 Br6]'
_cell_volume [364.1213]
_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
[
  Mg  Mg0  2  0.1244  0.2500  0.1618  1.0
  Ga  Ga1  2  0.2830  0.2500  0.5724  1.0
  Br  Br2  2  0.0493  0.7500  0.6716  1.0
  Br  Br3  2  0.1842  0.7500  0.0479  1.0
  Br  Br4  2  0.4291  0.2500  0.3312  1.0
]