data_[Sm6Th4Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.9718]
_cell_length_b [3.5773]
_cell_length_c [10.6231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7201]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3Th2Sc]
_chemical_formula_sum '[Sm6 Th4 Sc2]'
_cell_volume [378.9207]
_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  2  0.1267  0.2500  0.5857  1
  Sm  Sm1  2  0.3562  0.7500  0.0847  1
  Sm  Sm2  2  0.3792  0.7500  0.7491  1
  Th  Th3  2  0.1118  0.2500  0.9139  1
  Th  Th4  2  0.3722  0.7500  0.4155  1
  Sc  Sc5  2  0.1267  0.2500  0.2509  1
]