data_[Rb6Sc4Sn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1473]
_cell_length_b [12.3829]
_cell_length_c [8.2752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7216]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Sc2SnSe6]
_chemical_formula_sum '[Rb6 Sc4 Sn2 Se12]'
_cell_volume [701.4198]
_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  0.1635  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3329  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2355  0.1727  0.1881  1.0
  Se  Se5  4  0.2168  0.5000  0.1870  1.0
]