data_[Cs4Sm2Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4923]
_cell_length_b [4.1620]
_cell_length_c [8.4580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sm(CuSe2)2]
_chemical_formula_sum '[Cs4 Sm2 Cu4 Se8]'
_cell_volume [519.1153]
_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
[
  Cs  Cs0  4  0.1358  0.0000  0.5586  1.0
  Sm  Sm1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1757  0.5000  0.9822  1.0
  Se  Se3  4  0.0226  0.5000  0.7748  1.0
  Se  Se4  4  0.2000  0.0000  0.1500  1.0
]