data_[Al2Cd2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9927]
_cell_length_b [4.3834]
_cell_length_c [11.1970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlCdTe3]
_chemical_formula_sum '[Al2 Cd2 Te6]'
_cell_volume [339.1581]
_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
[
  Al  Al0  2  0.0336  0.2500  0.8845  1
  Cd  Cd1  2  0.3470  0.2500  0.3995  1
  Te  Te2  2  0.0536  0.7500  0.3496  1
  Te  Te3  2  0.2424  0.7500  0.9728  1
  Te  Te4  2  0.4110  0.2500  0.6657  1
]