data_[Tb4Sm7Th1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2921]
_cell_length_b [7.2588]
_cell_length_c [8.9792]
_cell_angle_alpha [90.0447]
_cell_angle_beta [103.7052]
_cell_angle_gamma [90.0279]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tb4Sm7Th]
_chemical_formula_sum '[Tb4 Sm7 Th1]'
_cell_volume [398.4330]
_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
[
  Tb  Tb0  2  0.2203  0.4998  0.6633  1
  Tb  Tb1  2  0.2759  0.2494  0.3301  1
  Sm  Sm2  2  0.2178  0.9995  0.6705  1
  Sm  Sm3  2  0.2764  0.7520  0.3312  1
  Sm  Sm4  2  0.4999  0.7539  0.9998  1
  Sm  Sm5  1  0.0000  0.5000  0.0000  1
  Th  Th6  1  0.0000  0.0000  0.0000  1
]