data_[Ga4Ag4Se2S6]
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
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [12.1813]
_cell_length_b [5.8334]
_cell_length_c [5.8761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1431]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Ga2Ag2SeS3]
_chemical_formula_sum '[Ga4 Ag4 Se2 S6]'
_cell_volume [368.1801]
_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  0.1280  0.3807  0.8853  1.0
  Ag  Ag1  4  0.1295  0.8639  0.3701  1.0
  Se  Se2  2  0.0000  0.1561  0.5000  1.0
  S  S3  4  0.2497  0.6269  0.7884  1.0
  S  S4  2  0.0000  0.5907  0.0000  1.0
]