data_[Ga2Se2Br14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [7.6125]
_cell_length_b [6.9028]
_cell_length_c [13.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [GaSeBr7]
_chemical_formula_sum '[Ga2 Se2 Br14]'
_cell_volume [704.7928]
_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
[
  Ga  Ga0  2  0.3645  0.0079  0.4957  1.0
  Se  Se1  2  0.0269  0.3897  0.3404  1.0
  Br  Br2  2  0.0783  0.4019  0.7137  1.0
  Br  Br3  2  0.0799  0.1020  0.5254  1.0
  Br  Br4  2  0.3645  0.1486  0.3381  1.0
  Br  Br5  2  0.4005  0.3287  0.9941  1.0
  Br  Br6  2  0.6004  0.1522  0.6197  1.0
  Br  Br7  2  0.8053  0.4318  0.8977  1.0
  Br  Br8  2  0.8324  0.1567  0.2382  1.0
]