data_[Sm8Ho48Th4]
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 [7.0170]
_cell_length_b [11.3809]
_cell_length_c [24.2221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ho12Th]
_chemical_formula_sum '[Sm8 Ho48 Th4]'
_cell_volume [1924.3454]
_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  0.2021  0.0000  0.7292  1
  Sm  Sm1  4  0.2042  0.5000  0.7284  1
  Ho  Ho2  8  0.0119  0.7496  0.2001  1
  Ho  Ho3  8  0.0665  0.7490  0.3301  1
  Ho  Ho4  8  0.1446  0.2526  0.5552  1
  Ho  Ho5  8  0.2055  0.7511  0.0748  1
  Ho  Ho6  4  0.0063  0.0000  0.1286  1
  Ho  Ho7  4  0.0065  0.5000  0.1277  1
  Ho  Ho8  4  0.0965  0.0000  0.4244  1
  Ho  Ho9  4  0.1021  0.5000  0.4280  1
  Th  Th10  4  0.2475  0.5000  0.0012  1
]