data_[Ga7Br9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [9.8612]
_cell_length_b [9.8612]
_cell_length_c [19.3678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ga7Br9]
_chemical_formula_sum '[Ga7 Br9]'
_cell_volume [1631.0763]
_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
[
  Ga  Ga0  6  0.1748  0.8252  0.4489  1
  Ga  Ga1  1  0.0000  0.0000  0.6228  1
  Br  Br2  6  0.2095  0.4191  0.5675  1
  Br  Br3  2  0.3333  0.6667  0.3973  1
  Br  Br4  1  0.0000  0.0000  0.4840  1
]