data_[Sm12Sn2Ge4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5972]
_cell_length_b [4.2475]
_cell_length_c [8.5947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6SnGe2Se3]
_chemical_formula_sum '[Sm12 Sn2 Ge4 Se6]'
_cell_volume [658.9430]
_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  0.0028  0.0000  0.2592  1.0
  Sm  Sm1  4  0.1699  0.5000  0.5768  1.0
  Sm  Sm2  4  0.1701  0.5000  0.0944  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge4  4  0.1669  0.0000  0.3341  1.0
  Se  Se5  4  0.1659  0.0000  0.8321  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]