data_[Rb4Ba4]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.0544]
_cell_length_b [4.6892]
_cell_length_c [15.7998]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [RbBa]
_chemical_formula_sum '[Rb4 Ba4]'
_cell_volume [596.7325]
_cell_formula_units_Z [4]
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  0.3165  0.0000  0.4675  1.0
  Rb  Rb1  2  0.4698  0.5000  0.7382  1.0
  Ba  Ba2  2  0.1516  0.5000  0.2151  1.0
  Ba  Ba3  2  0.3083  0.0000  0.9903  1.0
]