data_[Cd2In2Ag2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [15.4274]
_cell_length_b [4.6594]
_cell_length_c [6.5987]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CdInAgTe3]
_chemical_formula_sum '[Cd2 In2 Ag2 Te6]'
_cell_volume [428.7827]
_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
[
  Cd  Cd0  2  0.3356  0.0000  0.3349  1.0
  In  In1  2  0.1646  0.5000  0.6764  1.0
  Ag  Ag2  2  0.0003  0.0000  0.9897  1.0
  Te  Te3  2  0.1636  0.0000  0.4122  1.0
  Te  Te4  2  0.3365  0.5000  0.0805  1.0
  Te  Te5  2  0.4995  0.0000  0.7562  1.0
]