data_[Sm4Ho6Th4]
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 [15.5017]
_cell_length_b [3.5894]
_cell_length_c [8.7093]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ho3Th2]
_chemical_formula_sum '[Sm4 Ho6 Th4]'
_cell_volume [451.7474]
_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
[
  Sm  Sm0  4  0.2166  0.5000  0.1419  1
  Ho  Ho1  4  0.1382  0.0000  0.4345  1
  Ho  Ho2  2  0.0000  0.0000  0.0000  1
  Th  Th3  4  0.0687  0.5000  0.7119  1
]