data_[Ce8Sm4Cu4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [Cmc2_1]
_cell_length_a [4.0554]
_cell_length_b [17.4023]
_cell_length_c [12.4383]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce2SmCuSe5]
_chemical_formula_sum '[Ce8 Sm4 Cu4 Se20]'
_cell_volume [877.8015]
_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
[
  Ce  Ce0  4  0.0000  0.1113  0.3484  1.0
  Ce  Ce1  4  0.0000  0.1171  0.6938  1.0
  Sm  Sm2  4  0.0000  0.1776  0.0261  1.0
  Cu  Cu3  4  0.0000  0.4478  0.4222  1.0
  Se  Se4  4  0.0000  0.0134  0.0159  1.0
  Se  Se5  4  0.0000  0.3029  0.6931  1.0
  Se  Se6  4  0.0000  0.3137  0.3570  1.0
  Se  Se7  4  0.0000  0.3449  0.0197  1.0
  Se  Se8  4  0.0000  0.4947  0.7478  1.0
]