data_[Ga4Ag4Te2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.9442]
_cell_length_b [6.0974]
_cell_length_c [6.1981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ga2Ag2TeSe3]
_chemical_formula_sum '[Ga4 Ag4 Te2 Se6]'
_cell_volume [434.2159]
_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
[
  Ga  Ga0  4  0.1281  0.3847  0.3868  1.0
  Ag  Ag1  4  0.1317  0.8624  0.8717  1.0
  Te  Te2  2  0.0000  0.1440  0.0000  1.0
  Se  Se3  4  0.2496  0.1294  0.7178  1.0
  Se  Se4  2  0.0000  0.6030  0.5000  1.0
]