data_[Ce6Sm4Se16]
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 [C2/m]
_cell_length_a [14.8429]
_cell_length_b [8.4413]
_cell_length_c [7.1567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3(SmSe4)2]
_chemical_formula_sum '[Ce6 Sm4 Se16]'
_cell_volume [841.7806]
_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  0.2620  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Sm  Sm2  4  0.2374  0.5000  0.6604  1.0
  Se  Se3  8  0.1262  0.2330  0.4138  1.0
  Se  Se4  4  0.1125  0.5000  0.8958  1.0
  Se  Se5  4  0.1174  0.0000  0.9272  1.0
]