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 [7.4618]
_cell_length_b [9.1552]
_cell_length_c [9.2020]
_cell_angle_alpha [75.7019]
_cell_angle_beta [66.9710]
_cell_angle_gamma [67.7688]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2TaHSe4]
_chemical_formula_sum '[Rb4 Ta2 H2 Se8]'
_cell_volume [531.8966]
_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  0.1693  0.3504  0.3604  1
  Rb  Rb1  1  0.3368  0.6388  0.6510  1
  Rb  Rb2  1  0.7144  0.4997  0.0083  1
  Rb  Rb3  1  0.7938  0.9902  0.5000  1
  Ta  Ta4  1  0.0006  0.0150  0.9644  1
  Ta  Ta5  1  0.4789  0.0367  0.9843  1
  H  H6  1  0.6068  0.8095  0.3132  1
  H  H7  1  0.8892  0.6839  0.1963  1
  Se  Se8  1  0.0119  0.2193  0.7452  1
  Se  Se9  1  0.0485  0.7352  0.2102  1
  Se  Se10  1  0.0976  0.1456  0.1415  1
  Se  Se11  1  0.4020  0.8587  0.8591  1
  Se  Se12  1  0.4499  0.7881  0.2653  1
  Se  Se13  1  0.4966  0.2546  0.7794  1
  Se  Se14  1  0.6328  0.1271  0.1508  1
  Se  Se15  1  0.8708  0.8471  0.8704  1
]