data_[Cu6Ag6W2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9641]
_cell_length_b [7.4662]
_cell_length_c [7.7774]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu3Ag3WSe8]
_chemical_formula_sum '[Cu6 Ag6 W2 Se16]'
_cell_volume [622.4505]
_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
[
  Cu  Cu0  4  0.2500  0.2500  0.5000  1
  Cu  Cu1  2  0.0000  0.5000  0.5000  1
  Ag  Ag2  4  0.2500  0.2500  0.0000  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
  W  W4  2  0.0000  0.0000  0.5000  1
  Se  Se5  8  0.0136  0.2441  0.2830  1
  Se  Se6  4  0.2347  0.5000  0.6975  1
  Se  Se7  4  0.2366  0.0000  0.7397  1
]