data_[Ga1H4Br1]
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 [4.0380]
_cell_length_b [4.1314]
_cell_length_c [6.7486]
_cell_angle_alpha [89.7936]
_cell_angle_beta [74.4767]
_cell_angle_gamma [89.7119]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaH4Br]
_chemical_formula_sum '[Ga1 H4 Br1]'
_cell_volume [108.4772]
_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  0.9812  0.3344  0.0630  1
  H  H1  1  0.1635  0.4022  0.5616  1
  H  H2  1  0.2656  0.2514  0.5677  1
  H  H3  1  0.7494  0.8305  0.4972  1
  H  H4  1  0.7850  0.8315  0.3814  1
  Br  Br5  1  0.5357  0.8337  0.9377  1
]