data_[Sm2Y4Th6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9210]
_cell_length_b [4.2915]
_cell_length_c [9.1578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY2(ThTe2)3]
_chemical_formula_sum '[Sm2 Y4 Th6 Te12]'
_cell_volume [735.3685]
_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  0.5000  0.0000  1
  Y  Y1  4  0.1663  0.0000  0.3305  1
  Th  Th2  4  0.1643  0.0000  0.8295  1
  Th  Th3  2  0.0000  0.5000  0.5000  1
  Te  Te4  4  0.0041  0.0000  0.2476  1
  Te  Te5  4  0.1662  0.5000  0.0899  1
  Te  Te6  4  0.1697  0.5000  0.5741  1
]