data_[Rb4As2Br2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3980]
_cell_length_b [5.5057]
_cell_length_c [8.1469]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2AsBrF6]
_chemical_formula_sum '[Rb4 As2 Br2 F12]'
_cell_volume [430.5930]
_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  4  0.2256  0.5000  0.6997  1.0
  As  As1  2  0.0000  0.5000  0.0000  1.0
  Br  Br2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.1042  0.2724  0.9583  1.0
  F  F4  4  0.1123  0.5000  0.2308  1.0
]