data_[Sm8Th2Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.7366]
_cell_length_b [4.0632]
_cell_length_c [12.4460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm4ThSe7]
_chemical_formula_sum '[Sm8 Th2 Se14]'
_cell_volume [672.5637]
_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  0.1144  0.0000  0.4212  1
  Sm  Sm1  2  0.2022  0.5000  0.8191  1
  Sm  Sm2  2  0.2994  0.0000  0.1837  1
  Sm  Sm3  2  0.4992  0.5000  0.0011  1
  Th  Th4  2  0.3845  0.5000  0.5762  1
  Se  Se5  2  0.0008  0.5000  0.4984  1
  Se  Se6  2  0.0403  0.0000  0.7834  1
  Se  Se7  2  0.1592  0.5000  0.0499  1
  Se  Se8  2  0.2438  0.5000  0.3492  1
  Se  Se9  2  0.2566  0.0000  0.6518  1
  Se  Se10  2  0.3410  0.0000  0.9499  1
  Se  Se11  2  0.4586  0.5000  0.2160  1
]