data_[Sm12Si4Ge2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0727]
_cell_length_b [4.3058]
_cell_length_c [8.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1359]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Si2GeTe3]
_chemical_formula_sum '[Sm12 Si4 Ge2 Te6]'
_cell_volume [698.8363]
_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  0.0065  0.0000  0.2363  1.0
  Sm  Sm1  4  0.1613  0.5000  0.0999  1.0
  Sm  Sm2  4  0.1730  0.5000  0.5675  1.0
  Si  Si3  4  0.1667  0.0000  0.3334  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  Te  Te5  4  0.1664  0.0000  0.8332  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]