data_[Sm16Th4In4]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0725]
_cell_length_b [14.3679]
_cell_length_c [6.4163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm4ThIn]
_chemical_formula_sum '[Sm16 Th4 In4]'
_cell_volume [778.2125]
_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  8  0.1057  0.1868  0.5601  1
  Sm  Sm1  8  0.2089  0.3990  0.8580  1
  Th  Th2  4  0.0000  0.3907  0.2500  1
  In  In3  4  0.0000  0.0015  0.2500  1
]