data_[Sm2Sc6Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0762]
_cell_length_b [4.2177]
_cell_length_c [12.3632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm(ScTe2)3]
_chemical_formula_sum '[Sm2 Sc6 Te12]'
_cell_volume [593.9613]
_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  0.0497  0.7500  0.7013  1.0
  Sc  Sc1  2  0.1556  0.7500  0.0838  1.0
  Sc  Sc2  2  0.3173  0.2500  0.4975  1.0
  Sc  Sc3  2  0.4383  0.7500  0.8387  1.0
  Te  Te4  2  0.0842  0.2500  0.9090  1.0
  Te  Te5  2  0.1194  0.7500  0.4689  1.0
  Te  Te6  2  0.2004  0.2500  0.2490  1.0
  Te  Te7  2  0.2659  0.2500  0.7254  1.0
  Te  Te8  2  0.3901  0.7500  0.0598  1.0
  Te  Te9  2  0.4792  0.7500  0.6165  1.0
]