data_[Ga8Ge4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.4458]
_cell_length_b [15.8606]
_cell_length_c [7.1668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7088]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ga2GeSe6]
_chemical_formula_sum '[Ga8 Ge4 Se24]'
_cell_volume [1224.8219]
_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  8  0.2164  0.3505  0.9713  1.0
  Ge  Ge1  4  0.0000  0.1542  0.7500  1.0
  Se  Se2  8  0.0870  0.4295  0.6940  1.0
  Se  Se3  8  0.1002  0.2316  0.0619  1.0
  Se  Se4  8  0.1724  0.0796  0.7184  1.0
]