data_[Cu2Ag2Sn2Te6]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5646]
_cell_length_b [4.3032]
_cell_length_c [8.9445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuAgSnTe3]
_chemical_formula_sum '[Cu2 Ag2 Sn2 Te6]'
_cell_volume [329.6463]
_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  2  0.0778  0.7500  0.5107  1.0
  Ag  Ag1  2  0.3726  0.2500  0.8264  1.0
  Sn  Sn2  2  0.1253  0.7500  0.1762  1.0
  Te  Te3  2  0.1329  0.7500  0.8320  1.0
  Te  Te4  2  0.2482  0.2500  0.4979  1.0
  Te  Te5  2  0.3968  0.2500  0.1692  1.0
]