data_[Rb12In2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [11.0343]
_cell_length_b [11.0343]
_cell_length_c [8.4151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Rb6InSe4]
_chemical_formula_sum '[Rb12 In2 Se8]'
_cell_volume [887.3144]
_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  6  0.0588  0.5294  0.1327  1
  Rb  Rb1  6  0.1433  0.2866  0.4579  1
  In  In2  2  0.3333  0.6667  0.7503  1
  Se  Se3  6  0.1948  0.3896  0.8503  1
  Se  Se4  2  0.3333  0.6667  0.4195  1
]