data_[Nd4Dy2Th6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  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 [18.5187]
_cell_length_b [4.1535]
_cell_length_c [8.4622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2996]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Dy(ThSe2)3]
_chemical_formula_sum '[Nd4 Dy2 Th6 Se12]'
_cell_volume [624.7287]
_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
[
  Nd  Nd0  4  0.1663  0.0000  0.3327  1
  Dy  Dy1  2  0.0000  0.5000  0.0000  1
  Th  Th2  4  0.1689  0.0000  0.8342  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0010  0.0000  0.7606  1
  Se  Se5  4  0.1619  0.5000  0.0814  1
  Se  Se6  4  0.1674  0.5000  0.5819  1
]