data_[Cs2Rb1Nb1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Rb  0.8200  2.3500  1.6600
  Nb  1.6000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2691]
_cell_length_b [10.6620]
_cell_length_c [8.7422]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2RbNbBr8]
_chemical_formula_sum '[Cs2 Rb1 Nb1 Br8]'
_cell_volume [547.0402]
_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
[
  Cs  Cs0  2  0.5000  0.2652  0.5000  1
  Rb  Rb1  1  0.0000  0.5000  0.0000  1
  Nb  Nb2  1  0.0000  0.0000  0.0000  1
  Br  Br3  4  0.0924  0.1708  0.8274  1
  Br  Br4  2  0.4108  0.0000  0.1946  1
  Br  Br5  2  0.4291  0.5000  0.7482  1
]