data_[Rb6H8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [25.1594]
_cell_length_b [5.1839]
_cell_length_c [4.9663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.1041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3(HSe)4]
_chemical_formula_sum '[Rb6 H8 Se8]'
_cell_volume [639.5579]
_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  0.1773  0.0000  0.7663  1.0
  Rb  Rb1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.1008  0.5000  0.4832  1.0
  H  H3  4  0.1349  0.5000  0.0487  1.0
  Se  Se4  4  0.0573  0.5000  0.6672  1.0
  Se  Se5  4  0.1823  0.5000  0.2753  1.0
]