data_[Na2Dy4Th6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4930]
_cell_length_b [4.0352]
_cell_length_c [8.5650]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaDy2(ThSe2)3]
_chemical_formula_sum '[Na2 Dy4 Th6 Se12]'
_cell_volume [607.0203]
_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  0.5000  0.0000  1
  Dy  Dy1  4  0.1680  0.0000  0.3353  1
  Th  Th2  4  0.1669  0.0000  0.8331  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0039  0.0000  0.2437  1
  Se  Se5  4  0.1621  0.5000  0.0910  1
  Se  Se6  4  0.1693  0.5000  0.5742  1
]