data_[Na2Th2Ga2Cl12]
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
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [6.7334]
_cell_length_b [6.7334]
_cell_length_c [12.9548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaThGaCl6]
_chemical_formula_sum '[Na2 Th2 Ga2 Cl12]'
_cell_volume [587.3547]
_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  0.0000  0.0000  0.6678  1
  Th  Th1  2  0.0000  0.0000  0.3334  1
  Ga  Ga2  2  0.0000  0.0000  0.9991  1
  Cl  Cl3  4  0.1858  0.8142  0.4912  1
  Cl  Cl4  4  0.1957  0.8043  0.1828  1
  Cl  Cl5  4  0.2161  0.7839  0.8258  1
]