data_[Cd4Ga8Cu4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.8917]
_cell_length_b [9.3521]
_cell_length_c [12.1941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CdGa2CuTe4]
_chemical_formula_sum '[Cd4 Ga8 Cu4 Te16]'
_cell_volume [1014.0181]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.9973  1
  Ga  Ga1  8  0.2500  0.2500  0.2448  1
  Cu  Cu2  4  0.0000  0.0000  0.4987  1
  Te  Te3  8  0.0000  0.2327  0.3788  1
  Te  Te4  8  0.2330  0.0000  0.6282  1
]