data_[Rb8Ta2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [10.4916]
_cell_length_b [10.4916]
_cell_length_c [6.9967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Rb4TaSe5]
_chemical_formula_sum '[Rb8 Ta2 Se10]'
_cell_volume [770.1485]
_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  8  0.0937  0.2979  0.5024  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0861  1.0
  Se  Se2  8  0.0719  0.2247  0.9961  1.0
  Se  Se3  2  0.0000  0.0000  0.4301  1.0
]