data_[Rb6Er4Sn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  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 [7.3377]
_cell_length_b [12.7101]
_cell_length_c [8.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Er2SnSe6]
_chemical_formula_sum '[Rb6 Er4 Sn2 Se12]'
_cell_volume [743.9295]
_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  0.1653  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  4  0.0000  0.3332  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2333  0.8314  0.1939  1.0
  Se  Se5  4  0.2272  0.5000  0.1935  1.0
]