data_[Al8Cd2Te14]
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 [Pmn2_1]
_cell_length_a [17.4187]
_cell_length_b [7.4142]
_cell_length_c [7.0869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Al4CdTe7]
_chemical_formula_sum '[Al8 Cd2 Te14]'
_cell_volume [915.2369]
_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  4  0.1262  0.6734  0.5727  1
  Al  Al1  4  0.2441  0.8301  0.0430  1
  Cd  Cd2  2  0.0000  0.1582  0.4897  1
  Te  Te3  4  0.1154  0.6919  0.9351  1
  Te  Te4  4  0.1350  0.3471  0.4084  1
  Te  Te5  4  0.2473  0.1735  0.9257  1
  Te  Te6  2  0.0000  0.7932  0.3952  1
]