data_[Sm12Ge6Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6324]
_cell_length_b [4.2463]
_cell_length_c [8.6278]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge3TeSe2]
_chemical_formula_sum '[Sm12 Ge6 Te2 Se4]'
_cell_volume [662.3292]
_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  0.0011  0.0000  0.7333  1.0
  Sm  Sm1  4  0.1649  0.5000  0.5893  1.0
  Sm  Sm2  4  0.1734  0.5000  0.0796  1.0
  Ge  Ge3  4  0.1653  0.0000  0.8317  1.0
  Ge  Ge4  2  0.0000  0.5000  0.5000  1.0
  Te  Te5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1676  0.0000  0.3345  1.0
]