data_[Ga4Ag4Ge8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [7.2984]
_cell_length_b [12.7397]
_cell_length_c [12.7978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [GaAg(GeSe3)2]
_chemical_formula_sum '[Ga4 Ag4 Ge8 Se24]'
_cell_volume [1141.6539]
_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  0.3738  0.3755  0.4995  1
  Ag  Ag1  4  0.4388  0.2965  0.0817  1
  Ge  Ge2  4  0.2161  0.4989  0.2268  1
  Ge  Ge3  4  0.4919  0.2468  0.7734  1
  Se  Se4  4  0.1495  0.1732  0.1517  1
  Se  Se5  4  0.1740  0.3148  0.7610  1
  Se  Se6  4  0.1774  0.2160  0.4563  1
  Se  Se7  4  0.2170  0.4667  0.0428  1
  Se  Se8  4  0.4128  0.0652  0.7399  1
  Se  Se9  4  0.4948  0.4253  0.3477  1
]