data_[Ge6Te2Se4]
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 [P2_1/m]
_cell_length_a [7.0186]
_cell_length_b [4.0041]
_cell_length_c [11.3118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ge3TeSe2]
_chemical_formula_sum '[Ge6 Te2 Se4]'
_cell_volume [311.9759]
_cell_formula_units_Z [2]
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  0.0983  0.7500  0.6649  1
  Ge  Ge1  2  0.2541  0.7500  0.0207  1
  Ge  Ge2  2  0.3391  0.7500  0.3554  1
  Te  Te3  2  0.4736  0.2500  0.1555  1
  Se  Se4  2  0.0015  0.2500  0.7978  1
  Se  Se5  2  0.2432  0.2500  0.4889  1
]