data_[Rb6Sm4Y2Se12]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4466]
_cell_length_b [12.8976]
_cell_length_c [8.3854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Sm2YSe6]
_chemical_formula_sum '[Rb6 Sm4 Y2 Se12]'
_cell_volume [769.2284]
_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
[
  Rb  Rb0  4  0.0000  0.1676  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  4  0.0000  0.3334  0.0000  1
  Y  Y3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2304  0.1644  0.1980  1
  Se  Se5  4  0.2373  0.5000  0.1983  1
]