data_[Rb4Ta2H2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4776]
_cell_length_b [9.1654]
_cell_length_c [9.2131]
_cell_angle_alpha [75.7086]
_cell_angle_beta [66.9737]
_cell_angle_gamma [67.8134]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2TaHSe4]
_chemical_formula_sum '[Rb4 Ta2 H2 Se8]'
_cell_volume [534.4367]
_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  1  0.1695  0.3503  0.3602  1.0
  Rb  Rb1  1  0.3367  0.6389  0.6511  1.0
  Rb  Rb2  1  0.7143  0.4998  0.0084  1.0
  Rb  Rb3  1  0.7939  0.9901  0.5000  1.0
  Ta  Ta4  1  0.0000  0.0151  0.9644  1.0
  Ta  Ta5  1  0.4782  0.0368  0.9843  1.0
  H  H6  1  0.6066  0.8094  0.3132  1.0
  H  H7  1  0.8894  0.6839  0.1964  1.0
  Se  Se8  1  0.0121  0.2191  0.7455  1.0
  Se  Se9  1  0.0484  0.7352  0.2099  1.0
  Se  Se10  1  0.0979  0.1456  0.1412  1.0
  Se  Se11  1  0.4022  0.8589  0.8594  1.0
  Se  Se12  1  0.4500  0.7884  0.2653  1.0
  Se  Se13  1  0.4965  0.2543  0.7797  1.0
  Se  Se14  1  0.6332  0.1269  0.1506  1.0
  Se  Se15  1  0.8710  0.8472  0.8705  1.0
]