data_[Sm8Y4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0441]
_cell_length_b [17.6271]
_cell_length_c [12.1021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm2YCuSe5]
_chemical_formula_sum '[Sm8 Y4 Cu4 Se20]'
_cell_volume [862.7155]
_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  0.1083  0.6855  1.0
  Sm  Sm1  4  0.0000  0.1219  0.3086  1.0
  Y  Y2  4  0.0000  0.1934  0.0104  1.0
  Cu  Cu3  4  0.0000  0.4362  0.4553  1.0
  Se  Se4  4  0.0000  0.0420  0.0631  1.0
  Se  Se5  4  0.0000  0.2879  0.6758  1.0
  Se  Se6  4  0.0000  0.3138  0.3442  1.0
  Se  Se7  4  0.0000  0.3574  0.0009  1.0
  Se  Se8  4  0.0000  0.4989  0.7802  1.0
]