data_[Dy12Ho5Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2615]
_cell_length_b [9.1257]
_cell_length_c [10.7076]
_cell_angle_alpha [86.9647]
_cell_angle_beta [83.1408]
_cell_angle_gamma [88.3239]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Dy12Ho5Th2]
_chemical_formula_sum '[Dy12 Ho5 Th2]'
_cell_volume [606.4443]
_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
[
  Dy  Dy0  2  0.0144  0.8372  0.2743  1
  Dy  Dy1  2  0.0823  0.1640  0.0548  1
  Dy  Dy2  2  0.1759  0.7981  0.6491  1
  Dy  Dy3  2  0.3589  0.3633  0.2556  1
  Dy  Dy4  2  0.4084  0.6771  0.0557  1
  Dy  Dy5  2  0.4914  0.3227  0.6125  1
  Ho  Ho6  2  0.1209  0.4898  0.8445  1
  Ho  Ho7  2  0.2868  0.0617  0.4397  1
  Ho  Ho8  1  0.0000  0.5000  0.5000  1
  Th  Th9  2  0.4472  0.9866  0.8451  1
]