data_[Sm12Cd2Ge4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  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 [19.1541]
_cell_length_b [4.3592]
_cell_length_c [8.8800]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6CdGe2Te3]
_chemical_formula_sum '[Sm12 Cd2 Ge4 Te6]'
_cell_volume [716.9749]
_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  0.0077  0.0000  0.2604  1.0
  Sm  Sm1  4  0.1700  0.5000  0.1053  1.0
  Sm  Sm2  4  0.1732  0.5000  0.5661  1.0
  Cd  Cd3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1663  0.0000  0.3310  1.0
  Te  Te5  4  0.1639  0.0000  0.8320  1.0
  Te  Te6  2  0.0000  0.5000  0.5000  1.0
]