data_[Cu8Ag4Te12]
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/m]
_cell_length_a [20.1744]
_cell_length_b [4.1489]
_cell_length_c [7.0308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2AgTe3]
_chemical_formula_sum '[Cu8 Ag4 Te12]'
_cell_volume [583.1800]
_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  4  0.0487  0.0000  0.1536  1.0
  Cu  Cu1  4  0.2132  0.5000  0.4078  1.0
  Ag  Ag2  4  0.1454  0.5000  0.0303  1.0
  Te  Te3  4  0.0760  0.0000  0.8015  1.0
  Te  Te4  4  0.0828  0.5000  0.3768  1.0
  Te  Te5  4  0.2450  0.5000  0.7735  1.0
]