data_[Rb8In4Se8]
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 [C2/m]
_cell_length_a [16.8061]
_cell_length_b [5.3716]
_cell_length_c [9.2282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2InSe2]
_chemical_formula_sum '[Rb8 In4 Se8]'
_cell_volume [833.0781]
_cell_formula_units_Z [4]
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  0.0196  0.5000  0.2508  1.0
  Rb  Rb1  4  0.2290  0.0000  0.8231  1.0
  In  In2  4  0.1731  0.0000  0.4375  1.0
  Se  Se3  4  0.1362  0.0000  0.1575  1.0
  Se  Se4  4  0.1553  0.5000  0.5424  1.0
]