data_[Rb3Sm3Tm12Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5206]
_cell_length_b [8.5206]
_cell_length_c [21.4119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [RbSm(TmSe2)4]
_chemical_formula_sum '[Rb3 Sm3 Tm12 Se24]'
_cell_volume [1346.2517]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.3693  1
  Sm  Sm1  3  0.0000  0.0000  0.0059  1
  Tm  Tm2  9  0.1725  0.8275  0.8316  1
  Tm  Tm3  3  0.0000  0.0000  0.6257  1
  Se  Se4  9  0.0411  0.5206  0.7595  1
  Se  Se5  9  0.1745  0.3489  0.5796  1
  Se  Se6  3  0.0000  0.0000  0.2298  1
  Se  Se7  3  0.0000  0.0000  0.7571  1
]