data_[Ge2Sb2Se5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0023]
_cell_length_b [4.0023]
_cell_length_c [17.4147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ge2Sb2Se5]
_chemical_formula_sum '[Ge2 Sb2 Se5]'
_cell_volume [241.5816]
_cell_formula_units_Z [1]
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
[
  Ge  Ge0  2  0.0000  0.0000  0.3336  1.0
  Sb  Sb1  2  0.3333  0.6667  0.8895  1.0
  Se  Se2  2  0.3333  0.6667  0.2022  1.0
  Se  Se3  2  0.3333  0.6667  0.5925  1.0
  Se  Se4  1  0.0000  0.0000  0.0000  1.0
]