data_[Rb6H2Se2]
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 [P-1]
_cell_length_a [5.5869]
_cell_length_b [8.0178]
_cell_length_c [9.5393]
_cell_angle_alpha [71.4912]
_cell_angle_beta [73.0577]
_cell_angle_gamma [82.4240]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb3HSe]
_chemical_formula_sum '[Rb6 H2 Se2]'
_cell_volume [387.2544]
_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  2  0.1129  0.2441  0.9739  1.0
  Rb  Rb1  2  0.2845  0.5371  0.3462  1.0
  Rb  Rb2  2  0.3581  0.0345  0.3236  1.0
  H  H3  2  0.2857  0.8538  0.1134  1.0
  Se  Se4  2  0.1720  0.6929  0.6728  1.0
]