data_[Cu2Ag2Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5287]
_cell_length_b [4.3559]
_cell_length_c [8.9919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0866]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CuAgSbTe3]
_chemical_formula_sum '[Cu2 Ag2 Sb2 Te6]'
_cell_volume [332.7331]
_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  0.0750  0.2500  0.4929  1.0
  Ag  Ag1  2  0.3542  0.7500  0.8364  1.0
  Sb  Sb2  2  0.1461  0.2500  0.1805  1.0
  Te  Te3  2  0.1149  0.2500  0.8527  1.0
  Te  Te4  2  0.2420  0.7500  0.5256  1.0
  Te  Te5  2  0.3975  0.7500  0.1535  1.0
]