data_[Sm8Cu4Sn4Se20]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0138]
_cell_length_b [17.5076]
_cell_length_c [12.3295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2CuSnSe5]
_chemical_formula_sum '[Sm8 Cu4 Sn4 Se20]'
_cell_volume [866.4200]
_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  0.1171  0.3034  1.0
  Sm  Sm1  4  0.0000  0.1179  0.6821  1.0
  Cu  Cu2  4  0.0000  0.4963  0.9882  1.0
  Sn  Sn3  4  0.0000  0.1855  0.9967  1.0
  Se  Se4  4  0.0000  0.0374  0.0760  1.0
  Se  Se5  4  0.0000  0.2935  0.6621  1.0
  Se  Se6  4  0.0000  0.2965  0.3256  1.0
  Se  Se7  4  0.0000  0.3526  0.9957  1.0
  Se  Se8  4  0.0000  0.4913  0.2942  1.0
]