data_[Cu4Ag2Te16]
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 [10.6840]
_cell_length_b [8.4240]
_cell_length_c [7.3511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cu2AgTe8]
_chemical_formula_sum '[Cu4 Ag2 Te16]'
_cell_volume [649.0719]
_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  0.2119  0.0000  0.3037  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  8  0.1643  0.2707  0.1339  1.0
  Te  Te3  4  0.0419  0.5000  0.6872  1.0
  Te  Te4  4  0.1272  0.0000  0.6106  1.0
]