data_[Ce4Sm4Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1547]
_cell_length_b [14.7647]
_cell_length_c [9.1433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Ce2Sm2Se7]
_chemical_formula_sum '[Ce4 Sm4 Se14]'
_cell_volume [560.8771]
_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  4  0.0000  0.2602  0.4126  1.0
  Sm  Sm1  2  0.0000  0.0000  0.2161  1.0
  Sm  Sm2  2  0.0000  0.5000  0.1699  1.0
  Se  Se3  4  0.0000  0.1407  0.7206  1.0
  Se  Se4  4  0.0000  0.1852  0.1089  1.0
  Se  Se5  4  0.0000  0.3881  0.8933  1.0
  Se  Se6  2  0.0000  0.5000  0.4893  1.0
]