data_[Rb4Y6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [7.1810]
_cell_length_b [12.4410]
_cell_length_c [8.6001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2(YSe2)3]
_chemical_formula_sum '[Rb4 Y6 Se12]'
_cell_volume [737.9341]
_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  0.1666  0.5000  1
  Y  Y1  4  0.0000  0.3335  0.0000  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Se  Se3  8  0.2315  0.8335  0.1940  1
  Se  Se4  4  0.2311  0.5000  0.1941  1
]