data_[Cu8Ag12Te16]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.4388]
_cell_length_b [10.9693]
_cell_length_c [6.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3611]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2Ag3Te4]
_chemical_formula_sum '[Cu8 Ag12 Te16]'
_cell_volume [837.5342]
_cell_formula_units_Z [4]
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  8  0.2030  0.3494  0.5696  1.0
  Ag  Ag1  8  0.1320  0.1431  0.0506  1.0
  Ag  Ag2  4  0.0000  0.3357  0.2500  1.0
  Te  Te3  8  0.1042  0.1438  0.5564  1.0
  Te  Te4  8  0.1462  0.4314  0.9371  1.0
]