data_[Sm8Sc2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.4381]
_cell_length_b [4.0125]
_cell_length_c [12.2448]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9024]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm4ScSe7]
_chemical_formula_sum '[Sm8 Sc2 Se14]'
_cell_volume [638.0409]
_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  0.1113  0.0000  0.4306  1
  Sm  Sm1  2  0.1980  0.5000  0.8016  1
  Sm  Sm2  2  0.3018  0.0000  0.1947  1
  Sm  Sm3  2  0.4990  0.5000  0.9952  1
  Sc  Sc4  2  0.3875  0.5000  0.5761  1
  Se  Se5  2  0.0333  0.0000  0.7732  1
  Se  Se6  2  0.1609  0.5000  0.0505  1
  Se  Se7  2  0.2455  0.5000  0.3615  1
  Se  Se8  2  0.2716  0.0000  0.6470  1
  Se  Se9  2  0.3365  0.0000  0.9477  1
  Se  Se10  2  0.4632  0.5000  0.2159  1
  Se  Se11  2  0.4914  0.0000  0.5061  1
]