data_[Rb2Ba1In1Br8]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3224]
_cell_length_b [7.8328]
_cell_length_c [9.2245]
_cell_angle_alpha [79.4619]
_cell_angle_beta [75.5727]
_cell_angle_gamma [74.0065]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb2BaInBr8]
_chemical_formula_sum '[Rb2 Ba1 In1 Br8]'
_cell_volume [488.8285]
_cell_formula_units_Z [1]
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  0.3951  0.3586  0.8237  1.0
  Ba  Ba1  1  0.0000  0.0000  0.5000  1.0
  In  In2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.1323  0.6529  0.0800  1.0
  Br  Br4  2  0.1687  0.5595  0.5084  1.0
  Br  Br5  2  0.2461  0.0704  0.1528  1.0
  Br  Br6  2  0.2813  0.9817  0.7285  1.0
]