data_[Sm24Tm4Th12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [32.8372]
_cell_length_b [3.5546]
_cell_length_c [11.9701]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6TmTh3]
_chemical_formula_sum '[Sm24 Tm4 Th12]'
_cell_volume [1330.8926]
_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  0.0144  0.0000  0.8756  1
  Sm  Sm1  4  0.0519  0.0000  0.4020  1
  Sm  Sm2  4  0.0835  0.5000  0.1271  1
  Sm  Sm3  4  0.1399  0.0000  0.6477  1
  Sm  Sm4  4  0.1584  0.0000  0.3694  1
  Sm  Sm5  4  0.2126  0.5000  0.8838  1
  Tm  Tm6  4  0.1219  0.0000  0.9159  1
  Th  Th7  4  0.0450  0.5000  0.6553  1
  Th  Th8  4  0.1965  0.5000  0.1653  1
  Th  Th9  4  0.2339  0.5000  0.6092  1
]