data_[Ce2Sm2Y4Se12]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.4970]
_cell_length_b [12.1459]
_cell_length_c [7.1585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2215]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CeSm(YSe3)2]
_chemical_formula_sum '[Ce2 Sm2 Y4 Se12]'
_cell_volume [615.5072]
_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
[
  Ce  Ce0  2  0.0000  0.5875  0.5000  1.0
  Sm  Sm1  2  0.0000  0.1149  0.0000  1.0
  Y  Y2  2  0.0000  0.7625  0.0000  1.0
  Y  Y3  2  0.0000  0.9403  0.5000  1.0
  Se  Se4  4  0.2186  0.9370  0.2438  1.0
  Se  Se5  4  0.2234  0.7662  0.7483  1.0
  Se  Se6  4  0.2478  0.1020  0.7504  1.0
]