data_[Ga1H2Br5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6940]
_cell_length_b [7.4261]
_cell_length_c [7.4384]
_cell_angle_alpha [78.5510]
_cell_angle_beta [69.8850]
_cell_angle_gamma [67.7898]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaH2Br5]
_chemical_formula_sum '[Ga1 H2 Br5]'
_cell_volume [272.5770]
_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  1  0.9521  0.1041  0.9227  1
  H  H1  1  0.0296  0.4872  0.5272  1
  H  H2  1  0.3435  0.1537  0.1272  1
  Br  Br3  1  0.0392  0.3231  0.0718  1
  Br  Br4  1  0.1926  0.6013  0.4050  1
  Br  Br5  1  0.3091  0.8234  0.8461  1
  Br  Br6  1  0.6007  0.0052  0.1910  1
  Br  Br7  1  0.7563  0.2790  0.6860  1
]