data_[Dy2Er4Th6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
  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 [6.9187]
_cell_length_b [11.9272]
_cell_length_c [7.5825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyEr2(ThSe2)3]
_chemical_formula_sum '[Dy2 Er4 Th6 Se12]'
_cell_volume [596.5268]
_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
[
  Dy  Dy0  2  0.0000  0.0000  0.0000  1
  Er  Er1  4  0.0000  0.3332  0.0000  1
  Th  Th2  4  0.0000  0.1657  0.5000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2449  0.1678  0.2311  1
  Se  Se5  4  0.2411  0.5000  0.2300  1
]