data_[Sm8Cu4Ge4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0986]
_cell_length_b [18.1250]
_cell_length_c [11.7261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2CuGeSe5]
_chemical_formula_sum '[Sm8 Cu4 Ge4 Se20]'
_cell_volume [871.0984]
_cell_formula_units_Z [4]
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  0.0000  0.1133  0.6718  1
  Sm  Sm1  4  0.0000  0.1222  0.2922  1
  Cu  Cu2  4  0.0000  0.2562  0.1083  1
  Ge  Ge3  4  0.0000  0.4095  0.4660  1
  Se  Se4  4  0.0000  0.0376  0.0678  1
  Se  Se5  4  0.0000  0.3046  0.3140  1
  Se  Se6  4  0.0000  0.3089  0.6361  1
  Se  Se7  4  0.0000  0.3608  0.9850  1
  Se  Se8  4  0.0000  0.4936  0.2826  1
]