data_[Cu1Ag1Te2]
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 [P2/m]
_cell_length_a [3.1765]
_cell_length_b [3.8846]
_cell_length_c [8.0378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5213]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CuAgTe2]
_chemical_formula_sum '[Cu1 Ag1 Te2]'
_cell_volume [98.5420]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1
  Ag  Ag1  1  0.0000  0.5000  0.5000  1
  Te  Te2  2  0.0256  0.0000  0.2285  1
]