data_[Cs1Na2Th1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Th  1.3000  1.8000  1.0800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2070]
_cell_length_b [10.2662]
_cell_length_c [7.3586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CsNa2ThBr8]
_chemical_formula_sum '[Cs1 Na2 Th1 Br8]'
_cell_volume [468.8744]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.5000  0.0000  1
  Na  Na1  2  0.5000  0.2285  0.5000  1
  Th  Th2  1  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.2510  0.2032  0.8445  1
  Br  Br4  2  0.2520  0.0000  0.3274  1
  Br  Br5  2  0.2523  0.5000  0.4882  1
]