data_[Rb6Ce4In2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7201]
_cell_length_b [13.3621]
_cell_length_c [8.4030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Ce2InSe6]
_chemical_formula_sum '[Rb6 Ce4 In2 Se12]'
_cell_volume [825.4677]
_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  0.1630  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3330  0.0000  1.0
  In  In3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2352  0.1701  0.1953  1.0
  Se  Se5  4  0.2244  0.5000  0.1937  1.0
]