data_[Sm6Y4Th2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0376]
_cell_length_b [4.1367]
_cell_length_c [8.3406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5165]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Y2ThSe6]
_chemical_formula_sum '[Sm6 Y4 Th2 Se12]'
_cell_volume [607.5530]
_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  4  0.1619  0.0000  0.8342  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  Y  Y2  4  0.1647  0.0000  0.3301  1
  Th  Th3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0033  0.0000  0.2564  1
  Se  Se5  4  0.1697  0.5000  0.5795  1
  Se  Se6  4  0.1703  0.5000  0.0912  1
]