data_[Ag2Ge2Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [5.2000]
_cell_length_b [7.0996]
_cell_length_c [6.9687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [AgGeTe2]
_chemical_formula_sum '[Ag2 Ge2 Te4]'
_cell_volume [257.2730]
_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
[
  Ag  Ag0  2  0.0000  0.0804  0.5533  1.0
  Ge  Ge1  2  0.0000  0.4177  0.1064  1.0
  Te  Te2  2  0.0000  0.0473  0.1578  1.0
  Te  Te3  2  0.0000  0.4511  0.7037  1.0
]