data_[Sm4Ho20Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5574]
_cell_length_b [8.2241]
_cell_length_c [12.2958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0893]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmHo5Th3]
_chemical_formula_sum '[Sm4 Ho20 Th12]'
_cell_volume [1262.6659]
_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
[
  Sm  Sm0  4  0.1387  0.0000  0.2671  1
  Ho  Ho1  8  0.1335  0.1941  0.7748  1
  Ho  Ho2  4  0.0000  0.3284  0.0000  1
  Ho  Ho3  4  0.0556  0.5000  0.6220  1
  Ho  Ho4  4  0.2442  0.5000  0.9778  1
  Th  Th5  4  0.1240  0.5000  0.2159  1
  Th  Th6  4  0.2390  0.5000  0.4548  1
  Th  Th7  2  0.0000  0.0000  0.0000  1
  Th  Th8  2  0.0000  0.0000  0.5000  1
]