data_[Rb2Ba4As2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.5039]
_cell_length_b [8.6509]
_cell_length_c [8.9762]
_cell_angle_alpha [71.9262]
_cell_angle_beta [70.5628]
_cell_angle_gamma [72.4955]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbBa2AsSe4]
_chemical_formula_sum '[Rb2 Ba4 As2 Se8]'
_cell_volume [577.4305]
_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  0.4682  0.9621  0.5261  1.0
  Rb  Rb1  1  0.9650  0.9979  0.4473  1.0
  Ba  Ba2  1  0.4360  0.4514  0.4477  1.0
  Ba  Ba3  1  0.4717  0.5257  0.9508  1.0
  Ba  Ba4  1  0.7012  0.9848  0.9734  1.0
  Ba  Ba5  1  0.9665  0.4521  0.0326  1.0
  As  As6  1  0.1687  0.9915  0.0144  1.0
  As  As7  1  0.9128  0.5067  0.4913  1.0
  Se  Se8  1  0.1411  0.8277  0.8503  1.0
  Se  Se9  1  0.1646  0.3383  0.3220  1.0
  Se  Se10  1  0.3395  0.2005  0.8369  1.0
  Se  Se11  1  0.3615  0.8151  0.1805  1.0
  Se  Se12  1  0.6763  0.2404  0.1952  1.0
  Se  Se13  1  0.7210  0.3168  0.6582  1.0
  Se  Se14  1  0.7340  0.6729  0.3051  1.0
  Se  Se15  1  0.7718  0.7159  0.7681  1.0
]