data_[Ga8Se12]
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
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [6.8115]
_cell_length_b [11.9939]
_cell_length_c [6.7699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5682]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ga2Se3]
_chemical_formula_sum '[Ga8 Se12]'
_cell_volume [524.2904]
_cell_formula_units_Z [4]
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  0.0319  0.2489  0.5051  1.0
  Ga  Ga1  4  0.4989  0.0851  0.5010  1.0
  Se  Se2  4  0.1328  0.0859  0.3624  1.0
  Se  Se3  4  0.1443  0.7572  0.3925  1.0
  Se  Se4  4  0.1624  0.4220  0.3866  1.0
]