data_[La48Dy8Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2209]
_cell_length_b [11.7736]
_cell_length_c [25.4289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La12Dy2Th]
_chemical_formula_sum '[La48 Dy8 Th4]'
_cell_volume [2143.2852]
_cell_formula_units_Z [4]
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
[
  La  La0  8  0.0089  0.2159  0.0663  1
  La  La1  8  0.1024  0.2314  0.4440  1
  La  La2  8  0.1834  0.2173  0.8010  1
  La  La3  8  0.1986  0.7293  0.6761  1
  La  La4  4  0.0985  0.5000  0.1206  1
  La  La5  4  0.1174  0.5000  0.5752  1
  La  La6  4  0.1632  0.0000  0.5806  1
  La  La7  4  0.1653  0.0000  0.1609  1
  Dy  Dy8  4  0.0359  0.0000  0.2940  1
  Dy  Dy9  4  0.0468  0.5000  0.2734  1
  Th  Th10  4  0.2321  0.5000  0.9968  1
]