data_[Na2Th6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.9899]
_cell_length_b [4.4809]
_cell_length_c [13.3092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9100]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na(ThTe2)3]
_chemical_formula_sum '[Na2 Th6 Te12]'
_cell_volume [737.1475]
_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  0.0275  0.2500  0.6766  1
  Th  Th1  2  0.1505  0.2500  0.0837  1
  Th  Th2  2  0.3128  0.7500  0.5069  1
  Th  Th3  2  0.4682  0.2500  0.8378  1
  Te  Te4  2  0.0866  0.7500  0.9057  1
  Te  Te5  2  0.1399  0.2500  0.4827  1
  Te  Te6  2  0.2077  0.7500  0.2540  1
  Te  Te7  2  0.2985  0.7500  0.7451  1
  Te  Te8  2  0.3704  0.2500  0.0283  1
  Te  Te9  2  0.4930  0.2500  0.6113  1
]