data_[Ge3Te2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.1407]
_cell_length_b [4.1407]
_cell_length_c [10.6664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ge3Te2Se]
_chemical_formula_sum '[Ge3 Te2 Se1]'
_cell_volume [158.3795]
_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  1  0.0000  0.0000  0.7650  1
  Ge  Ge1  1  0.3333  0.6667  0.4222  1
  Ge  Ge2  1  0.6667  0.3333  0.1103  1
  Te  Te3  1  0.3333  0.6667  0.9073  1
  Te  Te4  1  0.6667  0.3333  0.5657  1
  Se  Se5  1  0.0000  0.0000  0.2295  1
]