data_[Ce2Sm2Y2Se6]
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 [P2_1/m]
_cell_length_a [7.2259]
_cell_length_b [4.0307]
_cell_length_c [10.8586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6899]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSmYSe3]
_chemical_formula_sum '[Ce2 Sm2 Y2 Se6]'
_cell_volume [308.5327]
_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  0.3420  0.2500  0.3052  1.0
  Sm  Sm1  2  0.2346  0.7500  0.9428  1.0
  Y  Y2  2  0.1221  0.2500  0.6297  1.0
  Se  Se3  2  0.0570  0.7500  0.1607  1.0
  Se  Se4  2  0.2791  0.7500  0.4988  1.0
  Se  Se5  2  0.4531  0.2500  0.8307  1.0
]