data_[Ce3Sm3Er6Se18]
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
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2997]
_cell_length_b [7.2997]
_cell_length_c [19.9391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CeSm(ErSe3)2]
_chemical_formula_sum '[Ce3 Sm3 Er6 Se18]'
_cell_volume [920.1193]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.7081  1.0
  Sm  Sm1  3  0.0000  0.0000  0.3263  1.0
  Er  Er2  3  0.0000  0.0000  0.0148  1.0
  Er  Er3  3  0.0000  0.0000  0.5158  1.0
  Se  Se4  9  0.0134  0.6397  0.2710  1.0
  Se  Se5  9  0.0485  0.3452  0.0945  1.0
]