data_[Na2Cd2Te2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5909]
_cell_length_b [6.0368]
_cell_length_c [7.5868]
_cell_angle_alpha [77.1084]
_cell_angle_beta [86.6903]
_cell_angle_gamma [68.1409]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaCdTe]
_chemical_formula_sum '[Na2 Cd2 Te2]'
_cell_volume [190.1521]
_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
[
  Na  Na0  2  0.4122  0.7438  0.7050  1.0
  Cd  Cd1  2  0.1209  0.2848  0.9383  1.0
  Te  Te2  2  0.2985  0.8441  0.2717  1.0
]