data_[Sm2Th10Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7886]
_cell_length_b [13.5001]
_cell_length_c [7.8017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmTh5Sb6]
_chemical_formula_sum '[Sm2 Th10 Sb12]'
_cell_volume [773.3163]
_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  0.0000  0.0000  0.0000  1
  Th  Th1  4  0.0000  0.1671  0.5000  1
  Th  Th2  4  0.0000  0.3339  0.0000  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Sb  Sb4  8  0.2484  0.1658  0.2484  1
  Sb  Sb5  4  0.2480  0.0000  0.7505  1
]