data_[Ga4Se2Br16]
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 [C2/m]
_cell_length_a [13.0568]
_cell_length_b [8.9432]
_cell_length_c [7.9575]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1785]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ga2SeBr8]
_chemical_formula_sum '[Ga4 Se2 Br16]'
_cell_volume [919.7396]
_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  4  0.2184  0.0000  0.3178  1
  Se  Se1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1233  0.2048  0.1556  1
  Br  Br3  4  0.1120  0.5000  0.7278  1
  Br  Br4  4  0.1814  0.0000  0.5923  1
]