data_[Ga4Br11]
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 [P1]
_cell_length_a [10.0907]
_cell_length_b [10.5934]
_cell_length_c [18.6248]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [98.0445]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ga4Br11]
_chemical_formula_sum '[Ga4 Br11]'
_cell_volume [1971.3086]
_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  0.0082  0.6584  0.4868  1
  Ga  Ga1  1  0.0728  0.0588  0.4994  1
  Ga  Ga2  1  0.2508  0.3796  0.4873  1
  Ga  Ga3  1  0.7279  0.0611  0.5247  1
  Br  Br4  1  0.0484  0.6253  0.6062  1
  Br  Br5  1  0.0946  0.4853  0.4135  1
  Br  Br6  1  0.1250  0.2754  0.5847  1
  Br  Br7  1  0.1567  0.8437  0.4434  1
  Br  Br8  1  0.2807  0.2045  0.4116  1
  Br  Br9  1  0.4342  0.5200  0.5177  1
  Br  Br10  1  0.5446  0.9191  0.4921  1
  Br  Br11  1  0.6953  0.2502  0.5775  1
  Br  Br12  1  0.7964  0.6549  0.4417  1
  Br  Br13  1  0.8773  0.1084  0.4184  1
  Br  Br14  1  0.8870  0.9556  0.5948  1
]