data_[Ga4Sb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.6708]
_cell_length_b [12.8187]
_cell_length_c [12.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [GaSb2Se5]
_chemical_formula_sum '[Ga4 Sb8 Se20]'
_cell_volume [929.4145]
_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  0.0000  0.2346  0.2500  1
  Sb  Sb1  8  0.0000  0.1463  0.5519  1
  Se  Se2  8  0.0000  0.0527  0.1423  1
  Se  Se3  8  0.0000  0.3357  0.0800  1
  Se  Se4  4  0.0000  0.2391  0.7500  1
]